SCHEMBL19328487

SCHEMBL19328487

NCc1ccc2onc(NC(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.40
CD274 Q9NZQ7 7/20 0.40
MAPT P10636 2/20 0.40
AURKB Q96GD4 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
STK17B O94768 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL3737669 0.81 CYP17A1 (0.39) PDCD1CD274MAPTAURKBTP53
SCHEMBL7244128 0.81 SMN1; SMN2 (0.40) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2144487 0.78 ALDH1A1 (0.46) MAPTNPC1RAB9ATP53SMN1; SMN2
Cyclopropane SCHEMBL2444392 0.74 STK17B (0.44) MAPTNPC1RAB9ATP53SMN1; SMN2
Cyclopropane SCHEMBL2438672 0.74 TP53 (0.49) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL17442612 0.74 AURKB (0.40) MAPTAURKBNPC1RAB9A
SCHEMBL7214959 0.73 BRD4 (0.38) MAPT
SCHEMBL7089986 0.73 SMN1; SMN2 (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7247038 0.73 HIF1A (0.47) NPC1RAB9A
SCHEMBL17442864 0.72 ROCK1 (0.42) AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 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 (2 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-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PDCD1 3666/4885CD274 4361/4885MAPT 2802/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PDCD1 3666/4885CD274 4361/4885MAPT 2802/4885

“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.