SCHEMBL1153218

SCHEMBL1153218

O=C1N=c2ccc(O)cc2=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
MAOA P21397 1/20 0.39
UGT1A1 P22309 1/20 0.39
MAOB P27338 1/20 0.39
ESR2 Q92731 1/20 0.39
CA9 Q16790 7/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA7 P43166 3/20 0.34
CA12 O43570 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MCL1 Q07820 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CES2 O00748 1/20 0.33
PBRM1 Q86U86 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7220827 0.71
SCHEMBL382451 0.71 NPC1 (0.35) MAOAALDH1A1HSD17B10HPGDMEN1
SCHEMBL1827090 0.71 MAOA (0.37) MAOAMAOBCA9CA1CA2
SCHEMBL3226561 0.71 S100A4 (0.39) ALDH1A1HPGDKMT2AGAAPARP1
SCHEMBL17423913 0.71 HSP90AA1 (0.39) CA9CA1CA2CA7HPGD
SCHEMBL25350599 0.70 PARP10 (0.42) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL11050387 0.70 MAPT (0.42) ALDH1A1HPGDKMT2AGAALMNA
Water SCHEMBL11162060 0.70 NPC1 (0.34) MAOAALDH1A1HSD17B10HPGDMEN1
SCHEMBL1418729 0.68 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDTDP1
SCHEMBL37950 0.68 MEN1 (0.35) MAOAMAOBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026474-B1 COMPOSITION AND PROCESS FOR OXIDATIVE DYEING OF HAIR Wella Aktiengesellschaft (DE) 1983-06-08 EP claimed
EP-0026474-A1 Composition and process for oxidative dyeing of hair Wella Aktiengesellschaft (DE) 1981-04-08 EP claimed
WO-1981000811-A1 MEANS AND PROCESS ALLOWING HAIR COLORATION BY OXIDATION WELLA AG (DE) 1981-04-02 WO claimed
EP-2290015-B1 NANOSCALE PIGMENT PARTICLE COMPOSITION AND PROCESS FOR PRODUCING THE SAME XEROX CORP (US) 2017-05-24 EP disclosed
EP-2290013-B1 METHODS OF MAKING NANAOSIZED PARTICLES OF BENZOIMIDAZOLONE PIGMENTS XEROX CORP (US) 2017-03-29 EP disclosed
US-8461351-B2 Sterically bulky stabilizers XEROX CORPORATION (US) 2013-06-11 US disclosed
US-8362270-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2013-01-29 US disclosed
US-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
US-8025723-B2 Nonpolar liquid and solid phase change ink compositions comprising nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-09-27 US disclosed
EP-2322512-A1 Alkylated benzimidazolone compounds and self-assembled nanostructures generated therefrom Xerox Corporation (US) 2011-05-18 EP disclosed
US-7938903-B2 Nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-05-10 US disclosed
WO-2010015037-A1 THERAPEUTIC METHODS AND COMPOSITIONS HOWARD FLOREY INSTITUTE (AU) 2010-02-11 WO disclosed
US-20100004360-A1 METHODS OF MAKING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-01-07 US disclosed
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP disclosed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO disclosed
US-4620850-A HYDROXYBENZOLFURANONE WELLA AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0026474-B1 COMPOSITION AND PROCESS FOR OXIDATIVE DYEING OF HAIR Wella Aktiengesellschaft (DE) 1983-06-08 EP disclosed
EP-0026474-A1 Composition and process for oxidative dyeing of hair Wella Aktiengesellschaft (DE) 1981-04-08 EP disclosed
WO-1981000811-A1 MEANS AND PROCESS ALLOWING HAIR COLORATION BY OXIDATION WELLA AG (DE) 1981-04-02 WO 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-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES RB1, CNKSR1, RBBP4 ESR1 2678/4885MAOA 2996/4885UGT1A1 3003/4885

“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.