SCHEMBL9926544

SCHEMBL9926544

CNC(=O)NCCNc1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HTT P42858 1/20 0.63
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HPGD P15428 2/20 0.44
MTNR1A P48039 1/20 0.44

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
SCHEMBL3760061 0.84 MAPT (0.70) MAPTHTTITGB3ITGAVKMT2A
SCHEMBL6951835 0.83 MAPT (0.68) MAPTHTTITGB3ITGAVITGB1
SCHEMBL29379717 0.80 MAPT (1.00) MAPTHTTITGB3ITGAVKMT2A
SCHEMBL76608 0.80 MAPT (1.00) MAPTHTTITGB3ITGAVKMT2A
SCHEMBL30525803 0.78 MAPT (0.95) MAPTHTTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2342540 0.78 MAPT (0.95) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL20072246 0.76 MAPT (0.83) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL8369698 0.74 ALDH1A1 (0.76) MAPTHTTITGB3ITGAVKMT2A
SCHEMBL3205146 0.74 ITGB3 (0.66) MAPTHTTITGB3ITGAVKMT2A
SCHEMBL31139405 0.74 ITGB3 (0.66) MAPTHTTITGB3ITGAVKMT2A

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MAPT 582/4885HTT 82/4885ITGB3 4368/4885

“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.