SCHEMBL25747828

SCHEMBL25747828

C=CC(=O)NCc1nn(-c2ccc(OC)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ RCE1 Q9Y256 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
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ DHODH Q02127 1/20 0.42

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
SCHEMBL25747719 0.87 RARG (0.45) ADORA3ADORA1SMN1; SMN2SCN9AALDH1A1
SCHEMBL25238957 0.86 TEAD1 (0.57) ABCB1TEAD1TEAD4TEAD2TEAD3
SCHEMBL30431703 0.86 TEAD1 (0.57) ABCB1TEAD1TEAD4TEAD2TEAD3
SCHEMBL30469127 0.83 CCR1 (0.43) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL25232832 0.83 CCR1 (0.43) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL25747827 0.83 ABCB1 (0.46) ABCB1TP53RXFP1ADORA3ADORA1
SCHEMBL30424411 0.83 RORC (0.40) ADORA3TEAD1TEAD4TEAD2TEAD3
SCHEMBL25231286 0.83 RORC (0.40) ADORA3TEAD1TEAD4TEAD2TEAD3
SCHEMBL25747717 0.78 HSD17B13 (0.43) POLBSMN1; SMN2HSD17B10HTTKDM4E
SCHEMBL4743993 0.75 TGM2 (0.63) POLBSMN1; SMN2ALDH1A1HPGDGAA

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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — 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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ABCB1 178/4885TP53 2/4885RXFP1 4644/4885

“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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