SCHEMBL31343563

SCHEMBL31343563

O=C(O)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])C(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 5/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
FFAR2 O15552 1/20 0.39
SERPINE1 P05121 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL31343649 1.00 TDP1 (0.51) TDP1GAAKMT2AMAPK1PKM
SCHEMBL24190643 0.88 GAA (0.47) TDP1GAAKMT2AMAPK1PKM
SCHEMBL30660992 0.88 GAA (0.47) TDP1GAAKMT2AMAPK1PKM
SCHEMBL31343689 0.82 MAPT (0.54) TDP1GAAMAPK1PKMRAB9A
SCHEMBL31343731 0.82 MAPT (0.54) TDP1GAAMAPK1PKMRAB9A
SCHEMBL24190709 0.79 KMT2A (0.43) TDP1GAAKMT2AMAPK1PKM
SCHEMBL30660982 0.79 TDP1 (0.43) TDP1GAAKMT2AMAPK1PKM
SCHEMBL24190129 0.79 TDP1 (0.43) TDP1GAAKMT2AMAPK1PKM
SCHEMBL30660971 0.79 KMT2A (0.43) TDP1GAAKMT2AMAPK1PKM
SCHEMBL31693952 0.76 MAPT (0.56) TDP1GAAMAPK1PKMRAB9A

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-20240409556-A1 BENZOPIPERAZINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. 2024-12-12 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-20240409556-A1 BENZOPIPERAZINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD YAP1, TEAD2, TEAD3 TDP1 1317/4885GAA 3578/4885KMT2A 2231/4885

“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.