SCHEMBL3785264

SCHEMBL3785264

Cc1ccc(-c2ccccc2N)c(C)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
HBB P68871 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CD44 P16070 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
PIK3CA P42336 1/20 0.41
IDO1 P14902 4/20 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
SCHEMBL31607661 1.00 POLB (0.71) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL7647167 0.85 ALDH1A1 (0.56) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL9326463 0.84 POLB (1.00) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL31607654 0.83 ALDH1A1 (0.54) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL3788234 0.83 ALDH1A1 (0.54) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL29900994 0.83 ALDH1A1 (0.54) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL28890403 0.82 ALDH1A1 (0.52) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL22434026 0.80 ALDH1A1 (0.68) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL3787337 0.78 CD44 (0.62) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL3790039 0.78 ALDH1A1 (0.55) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2

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
CN-117343006-B Preparation method of ARB-272572 河南科技大学 2024-07-09 CN disclosed
CN-117343006-A Preparation method of ARB-272572 河南科技大学 2024-01-05 CN disclosed
CN-113493469-A Compound capable of being used as immunomodulator, preparation method and application thereof 成都倍特药业股份有限公司 2021-10-12 CN 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-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 POLB 2303/4885ALDH1A1 4339/4885L3MBTL1 3838/4885

“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.