SCHEMBL5035508

SCHEMBL5035508

N#Cc1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
VCAM1 P19320 5/20 0.55
HSD17B10 Q99714 1/20 0.50
GPR35 Q9HC97 1/20 0.48
XDH P47989 1/20 0.43
CYP19A1 P11511 1/20 0.43
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MAPT P10636 1/20 0.39
PDE7A Q13946 1/20 0.38

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
SCHEMBL4518827 0.89 VCAM1 (0.62) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL11583829 0.89 GPR35 (0.56) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL15823361 0.87 ALDH1A1 (0.50) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL16023094 0.79 VCAM1 (0.38) ALDH1A1VCAM1HSD17B10KMT2AMAPT
SCHEMBL6431969 0.79 ALDH1A1 (0.64) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL14318562 0.77 ALDH1A1 (0.47) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL14318545 0.77 ALDH1A1 (0.47) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL14306409 0.76 ALDH1A1 (0.46) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL11939743 0.76 VCAM1 (0.60) ALDH1A1VCAM1HSD17B10GPR35XDH
SCHEMBL16236822 0.76 VCAM1 (0.60) ALDH1A1VCAM1HSD17B10GPR35XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964637-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2964637-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO disclosed
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles BRANDT MICHAEL 2004-10-28 US disclosed
US-6790852-B2 HETEROCYCLIC NITROGEN COMPOUNDS SUCH AS 2-(2,6-DICHLOROPHENYL) -4-(3-BROMOPHENYL)-5-(2-(3- HYDROXYPROPYLAMINO)PYRIMIDIN-4-YL) -N-H-IMIDAZOLE, USED AS TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed
US-4602041-A TREATMENT OF DIARRHEA BEECHAM GROUP P.L.C. (GB) 1986-07-22 US disclosed
EP-0087218-B1 GUANIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1985-05-02 EP disclosed
EP-0087218-A1 Guanidine derivatives BEECHAM GROUP PLC (GB) 1983-08-31 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 (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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 190/4885VCAM1 1378/4885HSD17B10 1495/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC ALDH1A1 4740/4885VCAM1 2321/4885HSD17B10 4667/4885
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 ALDH1A1 115/4885VCAM1 4082/4885HSD17B10 291/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 ALDH1A1 89/4885VCAM1 4131/4885HSD17B10 272/4885

“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.