SCHEMBL3527744

SCHEMBL3527744

COc1[c]sc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.36
EPAS1 Q99814 3/20 0.36
GPR3 P46089 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL9722776 0.72 LMNA (0.49) ALDH1A1KDM4EMAPK1LMNAMAPT
SCHEMBL66184 0.71 GPR3 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAEPAS1
SCHEMBL3525749 0.71 MEN1 (0.39) ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL5758421 0.70 KDM4E (0.31) KDM4EMAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5758101 0.69 GABRA1 (0.39) ALDH1A1MAPK1SMN1; SMN2CYP1A2L3MBTL1
SCHEMBL317826 0.69 GPR3 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAEPAS1
SCHEMBL5758704 0.68 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL65944 0.67 GPR3 (0.40) ALDH1A1KDM4ELMNAEPAS1GPR3
SCHEMBL66254 0.67 GPR3 (0.40) ALDH1A1KDM4ELMNAEPAS1GPR3
SCHEMBL767077 0.67 GPR3 (0.40) ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652063-B2 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2010-01-26 US disclosed
US-7521004-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2009-04-21 US disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1674460-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2009-01-21 EP disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070215844-A1 Chromene Compound TOKUYAMA CORPORATION (JP) 2007-09-20 US disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7169807-B2 10-Hydroxy-11-dihydroprostaglandin analogs as selective EP4 agonists ALLERGAN, INC. (US) 2007-01-30 US disclosed
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2007-01-11 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0189774-B1 PROCESS FOR PRODUCTION OF N,N-DISUBSTITUTED CARBOXYLIC ACID AMIDES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP 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 (3 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-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 ALDH1A1 3364/4885KDM4E 2046/4885MAPK1 1302/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG ALDH1A1 2467/4885KDM4E 2317/4885MAPK1 2192/4885
US-20070215844-A1 Chromene Compound CRY2, TYR, CRY1 ALDH1A1 2110/4885KDM4E 1354/4885MAPK1 780/4885

“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.