SCHEMBL85780

SCHEMBL85780

N#CCC1=Nc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
HRH1 P35367 2/20 0.31
HTR2A P28223 1/20 0.31
LMNA P02545 2/20 0.30
CYP2D6 P10635 1/20 0.30
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28861156 0.81 NOS3 (0.36) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL822111 0.75 HRH4 (0.40) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL5833897 0.75 NOS3 (0.44) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL11565601 0.75 NOS3 (0.39) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL14300643 0.75 NOS3 (0.39) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL11563083 0.75 NOS3 (0.39) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL25823891 0.73 NOS3 (0.38) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL561485 0.72 TRPA1 (0.45) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL31015696 0.72 TRPA1 (0.45) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL20581797 0.72 TRPA1 (0.40) TRPA1HRH4NOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146233-A1 A CLASS OF POLYCYCLIC COMPOUNDS INHIBITING RNA HELICASE DHX33 AND THE APPLICATION THEREOF SHENZHEN KEYE LIFE TECHNOLOGIES, CO., LTD (CN) 2023-05-11 US disclosed
US-20180094140-A1 FLUORESCENT DYES AND THEIR USES AS BIOMARKERS ILLUMINA CAMBRIDGE LIMITED (GB) 2018-04-05 US disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-8932393-B2 Azo compound, ink composition, recording method and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-01-13 US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US disclosed
US-8864891-B2 Ink composition, inkjet recording method and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8814341-B2 Ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 US disclosed
US-20120120148-A1 COLORING MATTER CONSISTING OF TRISAZO COMPOUND, INK COMPOSITIONS, RECORDING METHOD, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US disclosed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US disclosed
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-11-08 US disclosed
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 TRPA1 2698/4885HRH4 2322/4885NOS3 3188/4885
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 TRPA1 3980/4885HRH4 504/4885NOS3 725/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 TRPA1 1492/4885HRH4 366/4885NOS3 523/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH TRPA1 298/4885HRH4 26/4885NOS3 935/4885
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 TRPA1 928/4885HRH4 232/4885NOS3 1861/4885
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF OPRM1, OPRK1, OPRL1 TRPA1 162/4885HRH4 702/4885NOS3 2333/4885
US-20230146233-A1 A CLASS OF POLYCYCLIC COMPOUNDS INHIBITING RNA HELICASE DHX33 AND THE APPLICATION THEREOF DHX36, DDX21, DDX3X TRPA1 4373/4885HRH4 3534/4885NOS3 2287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.