SCHEMBL4529690

SCHEMBL4529690

CC(=O)Nc1cccc(NC2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 3/20 0.56
CYP1A2 P05177 1/20 0.56
SMYD3 Q9H7B4 1/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
NR4A1 P22736 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CSNK2A1 P68400 3/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10891352 0.92 PKM (0.56) ALDH1A1HSD17B10CYP1A2SMYD3RAB9A
SCHEMBL12277779 0.89 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2SMYD3RAB9A
Hydrochloric Acid SCHEMBL2417809 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2SMYD3RAB9A
SCHEMBL2851310 0.84 GPR35 (0.48) CYP1A2RAB9APOLBCSNK2A1MAPT
SCHEMBL21460235 0.84 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2SMYD3RAB9A
SCHEMBL1901172 0.83 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL4218472 0.80 DCUN1D1 (0.62) ALDH1A1RAB9APOLBMAPTKMT2A
SCHEMBL2418491 0.79 ALDH1A1 (0.61) ALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL4714652 0.76 HSD17B10 (0.71) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1487964 0.76 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9APOLB

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885HSD17B10 4746/4885CYP1A2 583/4885

“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.