SCHEMBL22600682

SCHEMBL22600682

O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MAPT P10636 4/20 0.66
CYP1B1 Q16678 1/20 0.61
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPK1 P28482 2/20 0.56
BRD1 O95696 1/20 0.55
TAF1 P21675 1/20 0.55
BRPF1 P55201 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 2/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL15398192 0.87 PDE6D (0.57) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL28921898 0.84 KMT2A (0.70) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL299841 0.84 ALDH1A1 (0.71) KMT2AMAPTMAPK1ALDH1A1KDM4E
SCHEMBL9693019 0.82 ESR1 (0.58) KMT2AMAPTMAPK1BRD1TAF1
SCHEMBL19985742 0.80 ERCC1 (0.68) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL10701345 0.80 CYP1B1 (0.66) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL28583048 0.80 MPO (0.69) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL30072176 0.80 CYP1B1 (0.70) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL19404423 0.79 KMT2A (0.60) KMT2AMAPTCYP1B1CYP2C9CYP2C19
SCHEMBL28769329 0.78 CA12 (0.49) KMT2AMAPTMAPK1BRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339608-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DISPLAY PANEL WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2020-10-29 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-20200339608-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DISPLAY PANEL CTNND1, CTNNB1, EML4 KMT2A 2621/4885MAPT 93/4885CYP1B1 1366/4885

“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.