SCHEMBL20808705

SCHEMBL20808705

C[S+]([O-])CCn1ncc2cc(Br)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
KMO O15229 1/20 0.39
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TRAP1 Q12931 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
SCHEMBL24248580 0.87 KMO (0.39) NPC1RAB9AKMT2AKMOMITF
SCHEMBL24248514 0.84 NPC1 (0.36) NPC1RAB9AKMT2AMITFPKM
SCHEMBL20985778 0.83 NPC1 (0.49) NPC1RAB9AKMT2AKMOMITF
SCHEMBL20985820 0.81 KMT2A (0.49) NPC1RAB9AKMT2AKMOMITF
SCHEMBL24204558 0.80 KMT2A (0.45) NPC1RAB9AKMT2AKMOMITF
SCHEMBL20786916 0.80 NPC1 (0.55) NPC1RAB9AKMT2AKMOMITF
SCHEMBL20808703 0.80 NPC1 (0.46) NPC1RAB9AKMT2AKMOMITF
SCHEMBL10581912 0.80 NPC1 (0.46) NPC1RAB9AKMT2AKMOMITF
SCHEMBL20786902 0.79 NPC1 (0.46) NPC1RAB9AKMT2AKMOMITF
SCHEMBL20786965 0.79 RAB9A (0.46) NPC1RAB9AKMT2AKMOMITF

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 4 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
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
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 NPC1 1406/4885RAB9A 1587/4885KMT2A 751/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 NPC1 1406/4885RAB9A 1587/4885KMT2A 751/4885

“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.