SCHEMBL97207

SCHEMBL97207

O=[C]c1ccc2[nH]ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.66
IMPDH1 P20839 1/20 0.66
GFER P55789 1/20 0.51
AHR P35869 4/20 0.50
CYP2A6 P11509 2/20 0.50
NR4A2 P43354 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL97059 0.83 AHR (0.50) IMPDH2IMPDH1AHRCYP2A6CA1
SCHEMBL1022937 0.79 IMPDH2 (0.66) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL6445127 0.79 IMPDH2 (0.66) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL91366 0.79 IMPDH2 (1.00) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL30389000 0.79 IMPDH2 (1.00) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL28194905 0.78 IMPDH2 (0.96) IMPDH2IMPDH1GFERAHRCYP2A6
Hydrochloric Acid SCHEMBL27803164 0.78 IMPDH2 (0.96) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL1080464 0.75 GFER (0.69) IMPDH2IMPDH1GFERAHRCYP2A6
Methyl Alcohol SCHEMBL27844152 0.75 IMPDH2 (0.89) IMPDH2IMPDH1GFERAHRCYP2A6
SCHEMBL20593932 0.73 GFER (0.57) IMPDH2IMPDH1GFERAHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103974956-B As HDAC6 inhibitor and the heterocyclic amide being used as antitumor agent 南京奥昭生物科技有限公司 2016-07-06 CN claimed
US-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. 2011-10-06 US claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
JP-2005530798-A 2005-10-13 JP claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP claimed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US claimed
US-4945096-A Treatment of a depressive state with 2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivates SYNTHELABO (FR) 1990-07-31 US claimed
US-4885302-A 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their application in therapy SYNTHELABO, 58, RUE DE LA GLACIERE - 75013 PARIS 1989-12-05 US claimed
EP-0306375-A1 2-[(4-Piperidinyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1989-03-08 EP claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 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 (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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE IMPDH2 4509/4885IMPDH1 4275/4885GFER 3823/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE IMPDH2 4509/4885IMPDH1 4275/4885GFER 3823/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE IMPDH2 4421/4885IMPDH1 4148/4885GFER 3440/4885
US-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 IMPDH2 2087/4885IMPDH1 1863/4885GFER 1508/4885

“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.