SCHEMBL19782960

SCHEMBL19782960

COC(=O)CN(C(=O)OC(C)(C)C)c1c(Cl)cc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SSTR4 P31391 1/20 0.31
▸ NR1D1 P20393 3/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL28724510 0.91 KCNH2 (0.32) MAPTALDH1A1NPSR1KCNH2SSTR4
SCHEMBL19776245 0.85 KCNH2 (0.35) MAPTCOMTALDH1A1KCNH2SSTR4
SCHEMBL21459919 0.83 KCNH2 (0.34) ALDH1A1KCNH2SSTR4NR1D1NR1H3
SCHEMBL19783049 0.80 PDGFRB (0.34) MAPTPKMALDH1A1NPSR1KDM4E
SCHEMBL21942179 0.78 LMNA (0.36) MAPTPKMNPSR1NR1D1NR1H3
SCHEMBL18424588 0.74 PDGFRB (0.37) MAPTALDH1A1KDM4ENR1D1RAB9A
SCHEMBL19776332 0.73 ATR (0.36) MAPTCOMTALDH1A1NPSR1KCNH2
SCHEMBL30810784 0.73 ATR (0.36) MAPTCOMTALDH1A1NPSR1KCNH2
SCHEMBL21379451 0.72 CYP1A2 (0.44) MAPTPKMALDH1A1KDM4ENR1D1
SCHEMBL30189995 0.72 MAPT (0.35) MAPTPKMCOMTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 MAPT 1155/4885PKM 1345/4885COMT 742/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MAPT 1432/4885PKM 1245/4885COMT 618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885PKM 1345/4885COMT 742/4885

“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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