SCHEMBL21858751

SCHEMBL21858751

COc1ncnc(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ LMNA P02545 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ PIN1 Q13526 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA13 Q8N1Q1 2/20 0.43
▸ MRGPRX1 Q96LB2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TRPA1 O75762 1/20 0.40

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
SCHEMBL21611500 0.87 MAPT (0.60) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL21611475 0.85 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL28523668 0.85 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL21611534 0.85 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL21611504 0.85 LMNA (0.50) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL21611550 0.85 MAPT (0.75) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL21611536 0.84 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL21611402 0.84 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL21611426 0.84 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1PIN1
SCHEMBL28523656 0.84 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1PIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 — — US disclosed
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 — — CN disclosed
WO-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 — — WO 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-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL MAPT 2426/4885LMNA 2525/4885SMN1; SMN2 2651/4885

“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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