SCHEMBL3034729

SCHEMBL3034729

C=CCOC(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
SNCA P37840 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RHOA P61586 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 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
SCHEMBL6381088 0.85 NPC1 (0.40) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL9798095 0.80 THRB (0.45) CYP3A4ALDH1A1HSD17B10TSHRNPC1
SCHEMBL11495124 0.77 NPC1 (0.42) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL152733 0.77 NUDT1 (0.49) CYP3A4ALDH1A1HSD17B10TSHRNPC1
SCHEMBL9797904 0.77 TSHR (0.50) CYP3A4ALDH1A1HSD17B10TSHRNPC1
Hydrochloric Acid SCHEMBL6175391 0.76 NUDT1 (0.48) CYP3A4ALDH1A1HSD17B10TSHRNPC1
SCHEMBL11411711 0.76 RAB9A (0.41) ALDH1A1TSHRNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL29571385 0.76 NUDT1 (0.48) CYP3A4ALDH1A1HSD17B10TSHRNPC1
Bromide SCHEMBL29572453 0.76 NUDT1 (0.48) CYP3A4ALDH1A1HSD17B10TSHRNPC1
SCHEMBL7110299 0.75 NPC1 (0.42) ALDH1A1NPC1RAB9AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP claimed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP claimed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
EP-1706376-B1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2009-03-04 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-4826864-A Substituted imidazole derivatives useful as antihypertensive or antithromtic agent or divretic FARMOS GROUP LTD. (FI) 1989-05-02 US disclosed
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US disclosed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP disclosed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US disclosed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP disclosed
US-4026903-A ANTIMICROBIAL AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed
US-3991072-A Racemization of lower alkyl imidazole carboxylates JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 US disclosed
US-3940411-A MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1976-02-24 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 (2 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP CYP3A4 3229/4885SNCA 4587/4885ALDH1A1 2933/4885
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 CYP3A4 1/4885SNCA 1472/4885ALDH1A1 896/4885

“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.