SCHEMBL305633

SCHEMBL305633

O=[C]N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.41
AOC3 Q16853 1/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ESR1 P03372 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2091209 0.87 L3MBTL1 (0.43) TSHRALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL2085584 0.87 KCNA5 (0.44) MEN1KMT2AESR1
SCHEMBL2096014 0.87 HTR2A (0.40) TSHRALDH1A1NPC1RAB9AGLA
SCHEMBL2093212 0.87 CYP2C19 (0.59) TSHRALDH1A1CYP2C19L3MBTL1LMNA
SCHEMBL2094147 0.87 CNR1 (0.43) CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL5541684 0.85 TP53 (0.48) TSHRALDH1A1AOC3CYP2C19MEN1
SCHEMBL2088978 0.82 PTGES (0.42) TSHRNPC1RAB9AHTTKMT2A
SCHEMBL2089858 0.82 RAB9A (0.54) TSHRALDH1A1NPC1RAB9AHTT
SCHEMBL2091940 0.82 MEN1 (0.48) RAB9AMEN1KMT2AL3MBTL1CRHBP
SCHEMBL2092721 0.82 CTSL (0.38) TSHRALDH1A1NPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US claimed
WO-2009109610-A1 USE OF NAD INFORMATION INHIBITORS FOR THE TREATMENT OF ISCHEMIA-REPERFUSION INJURY TOPOTARGET SWITZERLAND S.A. (CH) 2009-09-11 WO claimed
EP-2073808-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES Topotarget Switzerland SA (CH) 2009-07-01 EP claimed
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO claimed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US claimed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP claimed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US claimed
EP-0934309-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-08-11 EP claimed
EP-0930528-A1 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1999-07-21 EP claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
EP-0115954-B1 BICYCLOOCTANE DERIVATIVES AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0115954-A2 Bicyclooctane derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 TSHR 2909/4885ALDH1A1 216/4885NPC1 3799/4885
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 TSHR 3222/4885ALDH1A1 690/4885NPC1 4437/4885
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK TSHR 1544/4885ALDH1A1 113/4885NPC1 4323/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 TSHR 2552/4885ALDH1A1 266/4885NPC1 4190/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 TSHR 3963/4885ALDH1A1 1237/4885NPC1 4610/4885

“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.