SCHEMBL4938396

SCHEMBL4938396

COC(=O)CC(N)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.47
AOC3 Q16853 1/20 0.44
GLA P06280 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
WDR5 P61964 1/20 0.43
GBA1 P04062 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
OGG1 O15527 1/20 0.41

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
SCHEMBL24036585 1.00 PNP (0.47) PNPAOC3GLAADRB2ADRB1
SCHEMBL1294957 0.85 MAPT (0.43) KMT2AMEN1GBA1
SCHEMBL1294963 0.85 MAPT (0.43) KMT2AMEN1GBA1
SCHEMBL20154370 0.84 L3MBTL1 (0.45) PNPKMT2AMEN1HPGDALDH1A1
SCHEMBL6341030 0.84 L3MBTL1 (0.45) PNPKMT2AMEN1HPGDALDH1A1
SCHEMBL20154369 0.84 L3MBTL1 (0.45) PNPKMT2AMEN1HPGDALDH1A1
SCHEMBL8770895 0.83 ADRB3 (0.53) PNPGLAADRB2ADRB1ADRB3
SCHEMBL3580558 0.83 KYNU (0.47) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL30088535 0.83 ADRB3 (0.53) PNPGLAADRB2ADRB1ADRB3
SCHEMBL18516122 0.83 AOC3 (0.43) AOC3KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-1529042-B1 ARYLAMIDES INTERMED DISCOVERY GMBH (DE) 2013-02-20 EP disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-20060173040-A1 Arylamides BAYER HEALTHCARE AG (DE) 2006-08-03 US 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 (5 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 PNP 3656/4885AOC3 2574/4885GLA 773/4885
US-20060173040-A1 Arylamides AADAC, AHR, ARSA PNP 1381/4885AOC3 2474/4885GLA 1030/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 PNP 3656/4885AOC3 2574/4885GLA 773/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 PNP 2741/4885AOC3 4795/4885GLA 4551/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PNP 2741/4885AOC3 4795/4885GLA 4551/4885

“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.