SCHEMBL13802516

SCHEMBL13802516

O=C(O)c1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ PLA2G10 O15496 4/20 0.59
▸ DAO P14920 1/20 0.50
▸ MCL1 Q07820 1/20 0.49
▸ PPARG P37231 4/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CCR2 P41597 3/20 0.44
▸ PTGES O14684 2/20 0.44
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G5 P39877 1/20 0.43
▸ TEAD1 P28347 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ TEAD3 Q99594 1/20 0.43

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
SCHEMBL3570450 0.86 PLA2G10 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL30194196 0.85 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL5208338 0.85 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL9149430 0.84 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL13802520 0.82 ALDH1A1 (0.67) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL27642609 0.82 KCNH2 (0.48) ALDH1A1TSHRPLA2G10PPARGPPARA
SCHEMBL3957422 0.81 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL9260948 0.81 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL5421995 0.81 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL5434782 0.79 ALDH1A1 (0.77) ALDH1A1TSHRPLA2G10DAOMCL1

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 ALDH1A1 2808/4885TSHR 4514/4885PLA2G10 242/4885

“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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