SCHEMBL3554236

SCHEMBL3554236

O=C(Cl)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RORC P51449 5/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL19971993 0.86 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL3550116 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTCYP3A4ALOX15
SCHEMBL10694655 0.83 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL3551511 0.82 KMT2A (0.60) ALDH1A1TSHRKMT2ACYP3A4ALOX15
SCHEMBL398463 0.80 HSD17B10 (0.60) ALDH1A1TSHRKMT2AMAPTCYP3A4
SCHEMBL2243892 0.80 GPR35 (0.56) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL4954263 0.80 L3MBTL1 (0.63) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL16957420 0.80 HTT (0.50) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL510143 0.79 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL284069 0.79 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
US-7820144-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2010-10-26 US disclosed
US-7820144-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2010-10-26 US disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-20080090871-A1 CANNABIMIMETIC INDOLE DERIVATIVES MAKRIYANNIS ALEXANDROS 2008-04-17 US disclosed
US-20080090871-A1 CANNABIMIMETIC INDOLE DERIVATIVES MAKRIYANNIS ALEXANDROS 2008-04-17 US disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-7241799-B2 Cannabimimetic indole derivatives UNIVERSITY OF CONNECTICUT (US) 2007-07-10 US disclosed
US-7241799-B2 Cannabimimetic indole derivatives UNIVERSITY OF CONNECTICUT (US) 2007-07-10 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 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 (4 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-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CNR2, CNR1, GPR18 ALDH1A1 3295/4885TSHR 712/4885KMT2A 3752/4885
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands CNR1, CNR2, OPRK1 ALDH1A1 3016/4885TSHR 1076/4885KMT2A 3100/4885
US-20080090871-A1 CANNABIMIMETIC INDOLE DERIVATIVES CNR2, CNR1, GPR34 ALDH1A1 3604/4885TSHR 1781/4885KMT2A 3354/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 ALDH1A1 544/4885TSHR 4030/4885KMT2A 679/4885

“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.