SCHEMBL76190

SCHEMBL76190

CC(=O)Nc1ccc[c]c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5250996 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL692795 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL1044508 0.79 ALDH1A1 (0.48) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL5475470 0.79 ALDH1A1 (0.48) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL28776030 0.79 ALDH1A1 (0.48) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL16935676 0.79 CA1 (0.47) ALDH1A1HPGDMAPK1LMNAHSD17B10
SCHEMBL16935685 0.78 IDO1 (0.48) HPGD
SCHEMBL9003867 0.77 ALDH1A1 (0.46) ALDH1A1HPGDCYP2C19POLBCYP3A4
SCHEMBL18605478 0.77 TSHR (0.46) ALDH1A1HPGDCYP2C19POLBCYP1A2
SCHEMBL16719499 0.75 CYP2C19 (0.51) ALDH1A1HPGDCYP2C19POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
US-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US claimed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US claimed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 US claimed
EP-1140846-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-10 EP claimed
WO-2000040558-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-13 WO claimed
US-12018110-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-06-25 US disclosed
EP-4382545-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-06-12 EP disclosed
EP-4372020-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-05-22 EP disclosed
US-20240158650-A1 A COATING COMPOSITION PPG COATINGS EUROPE B.V. (NL) 2024-05-16 US disclosed
US-11981764-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-05-14 US disclosed
WO-2024074813-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT OWLSTONE MEDICAL LIMITED (GB) 2024-04-11 WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
EP-0222271-A2 Heat-developing process and colour-photographic recording material therefor Agfa-Gevaert AG (DE) 1987-05-20 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 (1 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-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP ALDH1A1 2358/4885HPGD 2588/4885CYP2C19 2948/4885

“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.