SCHEMBL21454863

SCHEMBL21454863

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2N=C1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL24127683 0.89 ADRA1A (0.36) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL20907118 0.87 NPY1R (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL20906913 0.87 NPY1R (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL1539510 0.87 KDM4E (0.38) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL30238446 0.87 KDM4E (0.38) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL20473280 0.86 ALDH1A1 (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL19194700 0.86 KDM4E (0.34) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL19006558 0.86 ALDH1A1 (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL19006562 0.86 ADRA1A (0.34) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL17244393 0.86 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553059-B1 8-BROMO-1-METHYL-6-(2-PYRIDINYL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPINE-4-PROPANOIC ACID METHYL ESTER (REMIMAZOLAM, CNS 7056) HYDROBROMIDE (1:1) SALT FOR INJECTION FOR SEDATION AND ANESTHESIA CHENGDU BRILLIANT PHARMACEUTICAL CO LTD (CN) 2021-10-13 EP disclosed
EP-3553059-A1 HYDROBROMATE OF BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Chengdu Brilliant Pharmaceutical Co., Ltd. (CN) 2019-10-16 EP disclosed
US-20190308981-A1 HYDROBROMIDE OF BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CHENGDU BRILLIANT PHARMACEUTICAL CO., LTD. (CN) 2019-10-10 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 (1 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-20190308981-A1 HYDROBROMIDE OF BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF GABRA4, GABRA1, GABRA3 KDM4E 330/4885MEN1 2131/4885NPC1 2617/4885

“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.