SCHEMBL31343587

SCHEMBL31343587

COC(=O)[C@H]1C[C@H](O)CN1c1ncccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.50
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.39
SCN9A Q15858 1/20 0.39
POLB P06746 1/20 0.39
DPP4 P27487 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
SCHEMBL31343835 0.86 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2AGAACYP1A2
SCHEMBL31343761 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7968279 0.81 GAA (0.43) MEN1KMT2AGAAALDH1A1OPRM1
SCHEMBL696232 0.81 GAA (0.43) MEN1KMT2AGAAALDH1A1OPRM1
SCHEMBL7985048 0.81 GAA (0.43) MEN1KMT2AGAAALDH1A1OPRM1
SCHEMBL2102798 0.81 GAA (0.43) MEN1KMT2AGAAALDH1A1OPRM1
SCHEMBL31344013 0.81 GAA (0.57) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL3436174 0.77 MEN1 (0.54) SMN1; SMN2MEN1KMT2AGAACYP1A2
SCHEMBL31013547 0.77 PRKCQ (0.52) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2389846 0.74 MAPT (0.53) SMN1; SMN2GAAALDH1A1MAPT

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 SMN1; SMN2 2922/4885MEN1 4571/4885KMT2A 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.