SCHEMBL19782890

SCHEMBL19782890

CCC(=O)CN(C(=O)OC(C)(C)C)c1c(Br)cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NR1D1 P20393 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ GALR2 O43603 1/20 0.31
▸ MITF O75030 1/20 0.31

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
SCHEMBL19783548 0.91 NR1D1 (0.32) GPR35SMN1; SMN2NR1D1NPC1NFKB1
SCHEMBL19777002 0.90 NPC1 (0.33) GPR35SMN1; SMN2NR1D1NPC1NFKB1
SCHEMBL21407959 0.90 GPR35 (0.35) GPR35SMN1; SMN2NR1D1NPC1NFKB1
SCHEMBL18424588 0.89 PDGFRB (0.37) GPR35SMN1; SMN2NR1D1NPC1NFKB1
SCHEMBL19783383 0.87 MAPT (0.33) GPR35SMN1; SMN2NR1D1NPC1NFKB1
SCHEMBL21379659 0.83 GPR35 (0.40) GPR35SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL18424786 0.82 GPR35 (0.41) GPR35SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL19783079 0.79 PKM (0.36) SMN1; SMN2NR1D1MAPTLMNAMAPK1
SCHEMBL19775901 0.78 PDGFRB (0.42) GPR35NR1D1NPC1RAB9AALDH1A1
SCHEMBL21942179 0.77 LMNA (0.36) SMN1; SMN2NR1D1MAPTTDP1CYP3A4

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-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 GPR35 2201/4885SMN1; SMN2 3957/4885NR1D1 2155/4885

“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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