SCHEMBL3137086

SCHEMBL3137086

COC(=O)NC(c1ccccc1)C(N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
DPP4 P27487 2/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CTRB1 P17538 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL19287392 1.00 KMT2A (0.46) KMT2ADPP4TSHRCYP3A4CYP2D6
SCHEMBL28696589 0.84 CTSK (0.51) MAPT
SCHEMBL28598937 0.84 CTSK (0.51) MAPT
SCHEMBL19797800 0.82 DPP4 (0.46) DPP4CYP1A2HSD17B10ALDH1A1CYP2C19
SCHEMBL18829154 0.82 KMT2A (0.48) KMT2ATSHRCYP3A4CYP2D6MAPK1
SCHEMBL14853205 0.82 HDAC1 (0.57) KMT2ATSHRCYP3A4CYP2D6ALDH1A1
SCHEMBL10013666 0.82 DPP4 (0.50) DPP4CYP2D6LMNAHPGDKEAP1
SCHEMBL18269666 0.81 KMT2A (0.47) KMT2ATSHRCYP3A4CYP2D6HSD17B10
SCHEMBL18269671 0.81 KMT2A (0.47) KMT2ATSHRCYP3A4CYP2D6HSD17B10
SCHEMBL14624894 0.79 CYP3A4 (0.55) KMT2ATSHRCYP3A4CYP2D6ALDH1A1

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-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 KMT2A 2830/4885DPP4 2889/4885TSHR 1743/4885

“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.