SCHEMBL2992771

SCHEMBL2992771

COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.62
ALDH1A1 P00352 8/20 0.62
TSHR P16473 6/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 5/20 0.59
TP53 P04637 1/20 0.59
NPSR1 Q6W5P4 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
DRD4 P21917 1/20 0.55
USP2 O75604 2/20 0.54
GABRP O00591 1/20 0.53

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
SCHEMBL2987985 0.86 CYP1A2 (0.71) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24495649 0.85 ALDH1A1 (0.67) CACNA1GALDH1A1TSHRMEN1KMT2A
SCHEMBL2984227 0.81 SMN1; SMN2 (0.66) CACNA1GALDH1A1MEN1KMT2AMAPT
SCHEMBL2984890 0.81 CYP1A2 (0.59) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13240117 0.81 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12204388 0.80 CYP2D6 (0.62) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL2985990 0.80 KMT2A (0.66) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL2982587 0.80 CYP1A2 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15310716 0.79 SMN1; SMN2 (0.63) CACNA1GALDH1A1MEN1KMT2AMAPT
SCHEMBL14564120 0.79 POLB (0.56) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142506-B1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-10-16 EP claimed
EP-2142506-B1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-10-16 EP disclosed
EP-2142506-B1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-10-16 EP disclosed
US-8394954-B2 Benzophenone hybrids as anticancer agents and processes for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-12 US disclosed
US-8394954-B2 Benzophenone hybrids as anticancer agents and processes for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-12 US disclosed
US-8394954-B2 Benzophenone hybrids as anticancer agents and processes for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-12 US disclosed
US-20100174074-A1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-08 US disclosed
US-20100174074-A1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-08 US disclosed
US-20100174074-A1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-08 US disclosed
WO-2008120235-A1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-10-09 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-20100174074-A1 NOVEL BENZOPHENONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF TP53, RB1, MCL1 CACNA1G 4749/4885ALDH1A1 987/4885TSHR 4527/4885

“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.