SCHEMBL10005331

SCHEMBL10005331

CCOc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.82
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.66
APP P05067 3/20 0.62
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
FDPS P14324 3/20 0.57
BCHE P06276 2/20 0.57
MAOA P21397 2/20 0.57
ACHE P22303 2/20 0.57
MAOB P27338 2/20 0.57
TRPV1 Q8NER1 2/20 0.56

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
SCHEMBL28632999 0.88 KDM4E (0.66) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL28632536 0.88 TDP1 (0.65) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL28638005 0.85 TDP1 (0.62) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL28638006 0.85 TDP1 (0.62) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL13039683 0.84 L3MBTL1 (0.88) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL2122822 0.83 L3MBTL1 (0.81) L3MBTL1KDM4EALDH1A1KMT2ABCHE
SCHEMBL2122818 0.83 L3MBTL1 (0.81) L3MBTL1KDM4EALDH1A1KMT2ABCHE
SCHEMBL28640303 0.82 TDP1 (0.59) L3MBTL1TDP1KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4931112 0.82 L3MBTL1 (0.56) L3MBTL1TDP1KDM4EALDH1A1APP
SCHEMBL17340509 0.82 L3MBTL1 (0.83) L3MBTL1TDP1KDM4EALDH1A1KMT2A

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
US-8722665-B2 Cinnamido-pyrrolo[2,1-C][1,4]benzodiazepines as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-13 US disclosed
US-8722665-B2 Cinnamido-pyrrolo[2,1-C][1,4]benzodiazepines as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-13 US disclosed
US-20120095213-A1 CINNAMIDO-PYRROLO[2,1-C][1,4]BENZODIAZEPINES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-04-19 US disclosed
US-20120095213-A1 CINNAMIDO-PYRROLO[2,1-C][1,4]BENZODIAZEPINES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-04-19 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-20120095213-A1 CINNAMIDO-PYRROLO[2,1-C][1,4]BENZODIAZEPINES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF GABRA1, GABRA4, GABRA5 L3MBTL1 4701/4885TDP1 2881/4885KDM4E 983/4885

“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.