SCHEMBL19006558

SCHEMBL19006558

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2N=C1NCCO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1A P35348 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL20473280 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL17244393 0.93 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL1539510 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL30238446 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL20473318 0.91 ADRA1A (0.35) KDM4EMAPTADRA1A
SCHEMBL13862616 0.90
SCHEMBL24127683 0.90 ADRA1A (0.36) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL18513428 0.89 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL13862617 0.88 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL1539482 0.88 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1

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
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 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 (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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 ALDH1A1 464/4885SMN1; SMN2 3525/4885KDM4E 1291/4885

“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.