SCHEMBL2292691

SCHEMBL2292691

Cc1cc(C(=O)O)cc2nc(-c3cn(C)c4ccccc34)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GRK2 P25098 1/20 0.41
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 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
SCHEMBL6806949 0.73 KDM4E (0.59) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL12377964 0.73 RAB9A (0.66) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2287568 0.73 KDM4E (0.58) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL20088774 0.71 HDAC6 (0.64) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2292684 0.71 KDM4E (0.62) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL17373146 0.71 POLB (0.50) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL2292679 0.70 PADI4 (0.58) KDM4EHPGD
SCHEMBL12561670 0.70 KDM4E (0.60) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL14091229 0.70 KMT2A (0.44) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL13907803 0.68 TDP1 (0.53) KDM4ENPC1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257547-B1 NOVEL BENZIMIDAZOLE LINKED PYRROLOÝ2,1-QÝ1,4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-08-05 EP disclosed
US-8835421-B2 Benzimidazole linked pyrrolo[2,1-c[1,4] benzodiazepine hybrids as potential antitumour agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-09-16 US disclosed
US-20110190268-A1 Novel Benzimidazole Linked Pyrrolo[2,1-c[1,4] Benzodiazepine Hybrids as Potential Antitumour Agents and Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-08-04 US disclosed
EP-2257547-A1 NOVEL BENZIMIDAZOLE LINKED PYRROLOÝ2,1-QÝ1,4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2010-12-08 EP disclosed
WO-2009113085-A1 NOVEL BENZIMIDAZOLE LINKED PYRROLO[2,1-Q[1,4] BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-17 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-20110190268-A1 Novel Benzimidazole Linked Pyrrolo[2,1-c[1,4] Benzodiazepine Hybrids as Potential Antitumour Agents and Process for the Preparation Thereof GABRA1, GABRA4, PBRM1 KDM4E 1017/4885NPC1 1715/4885ALDH1A1 252/4885

“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.