SCHEMBL25747717

SCHEMBL25747717

C=CC(=O)NCc1nn(C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B13 Q7Z5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ SSTR4 P31391 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SSTR1 P30872 1/20 0.37

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 0.82 RARG (0.45) TGM2SMN1; SMN2LMNAALDH1A1
SCHEMBL25600288 0.81 NAMPT (0.44) TGM2MAPK1NAMPTSSTR4EGFR
SCHEMBL25747828 0.78 ABCB1 (0.46) KDM4ESMN1; SMN2USP2ALDH1A1POLB
SCHEMBL25232832 0.75 CCR1 (0.43) TGM2LMNAPOLB
SCHEMBL30469127 0.75 CCR1 (0.43) TGM2LMNAPOLB
SCHEMBL25231286 0.75 RORC (0.40) TGM2MAPK1
SCHEMBL30424411 0.75 RORC (0.40) TGM2MAPK1
SCHEMBL25747816 0.75 MAPK1 (0.38) KDM4ETGM2MAPK1NAMPTEGFR
SCHEMBL2274030 0.75 KDM4E (0.42) HSD17B13KDM4ENAMPTSSTR4FEN1
SCHEMBL30469084 0.74 TEAD1 (0.46) TGM2SSTR4

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 HSD17B13 1904/4885KDM4E 2897/4885TGM2 696/4885

“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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