SCHEMBL1176872

SCHEMBL1176872

CC(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2038478 0.96 ESR1 (0.46) ESR1ESR2MEN1KMT2APOLB
SCHEMBL27277472 0.84 CRHBP (0.47) ESR1ESR2MEN1KMT2APOLB
SCHEMBL9547516 0.83 NPSR1 (0.54) ESR1ESR2MEN1KMT2ACES2
SCHEMBL1137614 0.82 PDK2 (0.47) ESR1ESR2MEN1KMT2APOLB
SCHEMBL28605602 0.82 PTPN1 (0.51) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7196841 0.81 MEN1 (0.43) ESR1ESR2MEN1KMT2APOLB
SCHEMBL27662354 0.81 MEN1 (0.43) ESR1ESR2MEN1KMT2APOLB
SCHEMBL28749398 0.81 HTT (0.44) ESR1ESR2MEN1KMT2APOLB
SCHEMBL1176870 0.80 ESR1 (0.49) ESR1ESR2MEN1KMT2ACES2
SCHEMBL9547587 0.80 ESR1 (0.49) ESR1ESR2MEN1KMT2ACES2

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-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US 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 ESR1 580/4885ESR2 2417/4885MEN1 4536/4885

“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.