SCHEMBL14123741

SCHEMBL14123741

C=CC(=O)OCCN(C(=O)N(C)c1ccccc1)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.42
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL16977334 0.88 KMT2A (0.41) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123765 0.88 THRB (0.48) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123725 0.87 THRB (0.47) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123744 0.84 THRB (0.39) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123772 0.82 THRB (0.45) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123740 0.81 THRB (0.42) THRBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14123776 0.81 BCL2A1 (0.41) KMT2AMEN1TP53THRBLMNA
SCHEMBL14123743 0.81 THRB (0.46) KMT2AMEN1TP53THRBCYP3A4
SCHEMBL14123739 0.81 TSHR (0.48) THRBLMNATRPM8SMN1; SMN2HPGD
SCHEMBL14123746 0.81 THRB (0.41) KMT2AMEN1TP53THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962227-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, method of producing electrophotographic photosensitive member, and urea compound CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20120301177-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND UREA COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-11-29 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-20120301177-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND UREA COMPOUND SLC14A1, ITCH, UROD KMT2A 3761/4885MEN1 3706/4885TP53 2874/4885

“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.