SCHEMBL12113293

SCHEMBL12113293

O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
HTT P42858 4/20 0.72
NPSR1 Q6W5P4 3/20 0.72
LMNA P02545 2/20 0.72
TP53 P04637 2/20 0.72
POLB P06746 1/20 0.72
XBP1 P17861 1/20 0.72
ALOX12 P18054 1/20 0.72
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
IDH1 O75874 5/20 0.63
IDH2 P48735 2/20 0.59
NAMPT P43490 1/20 0.58
CDK1 P06493 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNA2 P20248 2/20 0.58
CDK2 P24941 2/20 0.58
CDK7 P50613 2/20 0.58

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
SCHEMBL12112987 0.93 MAPT (0.63) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12112970 0.90 MEN1 (0.74) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12112923 0.89 MEN1 (0.57) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12113068 0.88 MEN1 (0.78) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12443228 0.87 MAPT (0.74) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12113066 0.84 KMT2A (0.59) MAPTMEN1KMT2AHTTLMNA
SCHEMBL12010910 0.80 MEN1 (0.66) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12112912 0.80 NAMPT (0.60) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL12112982 0.80 MAPT (0.66) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL17316245 0.80 MAPT (0.71) MAPTMEN1KMT2AHTTNPSR1

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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2011-11-10 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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT NAMPT, NAPRT, NNT MAPT 833/4885MEN1 889/4885KMT2A 1419/4885

“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.