SCHEMBL19006725

SCHEMBL19006725

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2N=C1NCC(O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1A P35348 1/20 0.33
BRD4 O60885 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
SCHEMBL19006749 0.97 KDM4E (0.32) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL19006593 0.91
SCHEMBL1539561 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL29893236 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL17415625 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL1539482 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL1539477 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL13862617 0.91 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL18513428 0.90 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL20473229 0.89 KDM4E (0.34) 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
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 KDM4E 1291/4885MEN1 2653/4885NPC1 2835/4885

“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.