SCHEMBL1176865

SCHEMBL1176865

O=[C]Nc1cc(Cl)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
CYP1A2 P05177 4/20 0.41
CDC25B P30305 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SAE1 Q9UBE0 3/20 0.39
UBA2 Q9UBT2 3/20 0.39
APAF1 O14727 3/20 0.39
CASP3 P42574 3/20 0.39
SENP8 Q96LD8 3/20 0.39
SENP7 Q9BQF6 3/20 0.39
SENP6 Q9GZR1 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
UBE2I P63279 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
GALK1 P51570 1/20 0.39
SMAD3 P84022 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL21817603 0.76 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1MAPTHPGD
SCHEMBL27919270 0.76 CYP2A6 (0.45) CYP2A6CYP1A2CDC25BALDH1A1SAE1
SCHEMBL1176869 0.75 ALDH1A1 (0.45) CYP2A6CYP1A2CDC25BALDH1A1SAE1
SCHEMBL1176961 0.74 ALDH1A1 (0.37) CYP2A6CYP1A2CDC25BALDH1A1SAE1
SCHEMBL1176644 0.72 ESRRA (0.41) CYP2A6CYP1A2CDC25BALDH1A1SAE1
SCHEMBL1176646 0.72 ESRRA (0.57) MAPTKDM4ERECQLMEN1KMT2A
SCHEMBL2093693 0.72 RAPGEF4 (0.42) ALDH1A1HPGDHSD17B10CYP1B1
SCHEMBL7841910 0.72 CA1 (0.46) CYP2A6CYP1A2CDC25BALDH1A1APAF1
SCHEMBL193824 0.71 ALDH1A1 (0.52) CYP2A6CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL543617 0.69 ALDH1A1 (0.45) CYP1A2ALDH1A1MAPTKDM4EHPGD

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-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US disclosed
CN-100549847-C Charge control agent and correlation technique thereof ORIENT CHEMICAL IND (JP) 2009-10-14 CN disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 EP 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L CYP2A6 4303/4885CYP1A2 4508/4885CDC25B 4216/4885

“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.