SCHEMBL31688848

SCHEMBL31688848

O=c1cc(Br)c2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
TNKS2 Q9H2K2 2/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
AR P10275 1/20 0.47
HSD17B10 Q99714 4/20 0.47
GPR3 P46089 2/20 0.47
PARP1 P09874 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TNKS O95271 1/20 0.47

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
SCHEMBL1770981 1.00 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL377796 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL29650180 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL13429142 0.76 CYP1A2 (0.49) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL2084671 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL6827495 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL19751533 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL450729 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL31169726 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL1193735 0.75 KDM4E (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP1A2 4816/4885TNKS2 3631/4885CYP2C19 4727/4885

“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.