SCHEMBL13284036

SCHEMBL13284036

CCC(C)c1ccc2onc(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BRD4 O60885 9/20 0.41
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ GRM4 Q14833 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL18500474 0.85 BRD4 (0.39) BRD4GRM4CYP1A2CHRNB2CHRNA4
SCHEMBL12974388 0.83 TRPA1 (0.41) ALDH1A1GAAALOX15HSD17B10BRD4
SCHEMBL24758379 0.80 GRM4 (0.36) BRD4GRM4CYP1A2CHRNB2CHRNA4
SCHEMBL24758377 0.80 GRM4 (0.36) BRD4GRM4CYP1A2CHRNB2CHRNA4
SCHEMBL23030530 0.73 USP2 (0.45) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL16806144 0.73 ALDH1A1 (0.43) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL8170902 0.73 NPC1 (0.42) ALDH1A1HPGDBRD4GRM4CYP1A2
SCHEMBL8203287 0.72 GABRA1 (0.42) BRD4GRM4CYP1A2
SCHEMBL12974404 0.72 PTPN1 (0.37) ALDH1A1GAAPKMALOX15HSD17B10
SCHEMBL8415607 0.72 BRD4 (0.40) BRD4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457667-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 — — US disclosed
EP-2565193-A1 Compositions and methods for inhibition of the JAK pathway Rigel Pharmaceuticals, Inc. (US) 2013-03-06 — — EP disclosed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 — — 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-10457667-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, GRIN2D ALDH1A1 1225/4885GAA 4293/4885USP2 4773/4885

“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.

Send feedback