SCHEMBL3784887

SCHEMBL3784887

CNc1ccc(N)cc1-c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
PTPRC P08575 2/20 0.40
HTT P42858 2/20 0.40
BLM P54132 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
PLA2G1B P04054 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
SCHEMBL6572302 0.86 PRKCI (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL3789922 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6571085 0.85 CASP1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6572186 0.84 PLA2G7 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6573025 0.82 IDO1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3790082 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6572330 0.80 HTR7 (0.45) ALDH1A1L3MBTL1TDP1MAPK1CYP3A4
SCHEMBL3785718 0.79 MAOA (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6572813 0.79 PRKCI (0.34) ALDH1A1L3MBTL1SMN1; SMN2TDP1TP53
SCHEMBL5133404 0.78 ALDH1A1 (0.65) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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 7 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
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 ALDH1A1 4339/4885L3MBTL1 3838/4885SMN1; SMN2 4524/4885

“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.