SCHEMBL6629242

SCHEMBL6629242

COc1cc(CBr)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
ALOX15 P16050 1/20 0.41
HTR4 Q13639 1/20 0.40
PLA2G10 O15496 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 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
SCHEMBL3968938 0.84 POLB (0.48) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL19422787 0.84 NPC1 (0.49) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL3968933 0.83 POLB (0.47) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL14177257 0.83 POLB (0.47) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL13490840 0.82 LTB4R (0.44) LMNAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL6971126 0.80 ALOX15 (0.45) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL12468374 0.80 CYP1A2 (0.47) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL6971124 0.80 ALOX15 (0.45) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL8936165 0.79 POLB (0.42) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL7252416 0.79 NPC1 (0.48) POLBLMNAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126995-B2 Method for catalytic asymmetric synthesis of optically active isoxazoline compound and optically active isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
US-20140350261-A1 METHOD FOR CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ISOXAZOLINE COMPOUND, AND OPTICALLY ACTIVE ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-27 US 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 POLB 1570/4885LMNA 3025/4885L3MBTL1 3833/4885
US-20140350261-A1 METHOD FOR CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ISOXAZOLINE COMPOUND, AND OPTICALLY ACTIVE ISOXAZOLINE COMPOUND CYP3A7, CYP2A7, CYP8B1 POLB 326/4885LMNA 1006/4885L3MBTL1 4349/4885

“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.