SCHEMBL3210027

SCHEMBL3210027

Cc1cc(N)c(C)c(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
CYP3A4 P08684 5/20 0.55
TSHR P16473 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.46
CD44 P16070 2/20 0.42
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 1/20 0.36
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 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
SCHEMBL459701 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL1277356 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1TP53
Hydrochloric Acid SCHEMBL28259135 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1TP53
Hydrochloric Acid SCHEMBL5177923 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1TP53
Hydrochloric Acid SCHEMBL148150 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL30899710 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL3290472 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL2131880 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL5160450 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL10730713 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209058-B2 Method for producing aromatic aminomethyl MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-01-28 US disclosed
US-20220251022-A1 METHOD FOR PRODUCING AROMATIC AMINOMETHYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-08-11 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 ALDH1A1 680/4885CYP3A4 633/4885TSHR 212/4885

“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.