SCHEMBL2774989

SCHEMBL2774989

CN(C)c1ccc(N)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
ADK P55263 3/20 0.43
MAPK1 P28482 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3790193 0.85 ALDH1A1 (0.56) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL3788800 0.85 PSMB5 (0.49) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL3791645 0.84 MAOA (0.42) ALDH1A1ADKMAPK1MEN1TDP1
SCHEMBL3785887 0.82 ALDH1A1 (0.52) PSMB5ALDH1A1HSD17B10MAPK1MEN1
SCHEMBL2339811 0.82 ALDH1A1 (0.42) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL16837158 0.82 PSMB5 (0.53) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL13990204 0.82 PSMB5 (0.53) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL17779617 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL17928565 0.80 ADK (0.44) PSMB5ALDH1A1HSD17B10ADKMAPK1
SCHEMBL6573339 0.80 L3MBTL1 (0.43) PSMB5ALDH1A1HSD17B10L3MBTL1CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
WO-2010052079-A2 METHOD FOR REDUCING THE WATER CONTENT IN (METH)ACRYLIC ACID EVONIK RÖHM GMBH (DE) 2010-05-14 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PSMB5 3778/4885ALDH1A1 4339/4885HSD17B10 1100/4885

“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.