SCHEMBL12112970

SCHEMBL12112970

O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.74
KMT2A Q03164 7/20 0.74
MAPT P10636 6/20 0.74
HTT P42858 5/20 0.74
NPSR1 Q6W5P4 3/20 0.74
LMNA P02545 2/20 0.74
TP53 P04637 2/20 0.74
POLB P06746 1/20 0.74
XBP1 P17861 1/20 0.74
ALOX12 P18054 1/20 0.74
IDH1 O75874 7/20 0.74
IDH2 P48735 2/20 0.66
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
FFAR1 O14842 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CDK7 P50613 1/20 0.59

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
SCHEMBL12113293 0.90 MAPT (0.72) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL12113068 0.89 MEN1 (0.78) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL14459434 0.85 KMT2A (0.74) MEN1KMT2AMAPTHTTLMNA
SCHEMBL15702459 0.85 IDH1 (1.00) IDH1
SCHEMBL15840433 0.83 MAPT (0.64) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL12112987 0.83 MAPT (0.63) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL15840630 0.82 MAPT (0.68) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL14601707 0.81 KMT2A (0.77) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL161516 0.81 BAZ1A (0.71) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL12010910 0.81 MEN1 (0.66) MEN1KMT2AMAPTHTTNPSR1

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 MEN1 889/4885KMT2A 1419/4885MAPT 833/4885

“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.