SCHEMBL3921968

SCHEMBL3921968

Cc1cc(CBr)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.60
▸ NCF1 P14598 4/20 0.56
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8232676 0.82 CYP1A2 (0.62) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL1366357 0.82 CYP1A2 (0.62) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL13200125 0.81 CYP1A2 (0.56) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL6494917 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL994597 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL3964916 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL265139 0.81 NCF1 (0.61) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL6494921 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL5898542 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL6985541 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — WO disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — WO disclosed
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 — — EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 — — US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 — — US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 — — US disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 — — CN disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 — — EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 — — US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 — — 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 (2 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 CYP1A2 1444/4885NCF1 1362/4885CYP2C19 600/4885
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 CYP1A2 6/4885NCF1 4222/4885CYP2C19 22/4885

“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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