SCHEMBL31731089

SCHEMBL31731089

Cc1cnc2cc(O)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2629410 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL2629408 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL14582923 0.79 ESR2 (0.48) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL6844954 0.79 CYP1A2 (0.54) ALDH1A1MAPTKDM4ELMNACCNB2
SCHEMBL29639043 0.79 CYP1A2 (0.54) ALDH1A1MAPTKDM4ELMNACCNB2
SCHEMBL2616096 0.76 HRH4 (0.55) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL4541045 0.76 CCNB2 (0.37) ALDH1A1PDGFRBKDM4ELMNACCNB2
SCHEMBL1641255 0.76 PABPC1 (0.44) ALDH1A1MAPTKDM4EGAACCNB2
SCHEMBL1664655 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL7859072 0.76 ESR2 (0.46) ALDH1A1MEN1KMT2AMAPTALOX12

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-20250353855-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2025-11-20 — — 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-20250353855-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH ALDH1A1 1719/4885MEN1 1477/4885KMT2A 1133/4885

“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.

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