SCHEMBL7126904

SCHEMBL7126904

CCOC(=O)CN1Cc2cc(Br)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
PIN1 Q13526 1/20 0.48
PIN4 Q9Y237 1/20 0.48
AOC3 Q16853 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
MAPK1 P28482 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL17141604 0.90 ALOX15 (0.52) ALOX15PIN1PIN4AOC3MEN1
SCHEMBL29505381 0.88 AOC3 (0.60) ALOX15PIN1PIN4AOC3ALDH1A1
SCHEMBL14061622 0.88 AOC3 (0.60) ALOX15PIN1PIN4AOC3ALDH1A1
SCHEMBL2180564 0.88 TNF (0.45) ALOX15PIN1PIN4AOC3MEN1
SCHEMBL2179104 0.87 AOC3 (0.45) ALOX15AOC3KMT2ASDCBPSDC2
SCHEMBL14823766 0.84 MAPK1 (0.43) ALOX15AOC3SDCBPSDC2MAPK1
SCHEMBL1500695 0.82 CUL4A (0.49) ALOX15ALDH1A1SDCBPSDC2PRMT5
SCHEMBL2008883 0.81 ALOX15 (0.49) ALOX15PIN1PIN4AOC3MEN1
SCHEMBL2011706 0.81 ALOX15 (0.47) ALOX15PIN1PIN4AOC3MEN1
SCHEMBL15939257 0.81 ITGB3 (0.50) ALOX15SDCBPSDC2PRMT5WDR77

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
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
US-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI ALOX15 504/4885PIN1 3905/4885PIN4 2114/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 ALOX15 2370/4885PIN1 2210/4885PIN4 3715/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 ALOX15 2370/4885PIN1 2210/4885PIN4 3715/4885

“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.