SCHEMBL4316463

SCHEMBL4316463

CS(=O)(=O)N1CCN(c2ccc(/C=C/c3n[nH]c4ccccc34)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
CYP2C9 P11712 3/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 9/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL4316473 1.00 MAPT (0.48) MAPTCYP2C9HTTCYP1A2CYP2C19
SCHEMBL27691469 0.85 FGFR1 (0.51) MAPTALDH1A1KMT2APKMAURKA
SCHEMBL4312073 0.85 FGFR1 (0.41) MAPTCYP2C9HTTCYP1A2CYP2C19
SCHEMBL4312068 0.85 FGFR1 (0.41) MAPTCYP2C9HTTCYP1A2CYP2C19
SCHEMBL4322777 0.84 MAPT (0.53) MAPTCYP2C9HTTCYP3A4ALDH1A1
SCHEMBL4322782 0.84 MAPT (0.53) MAPTCYP2C9HTTCYP3A4ALDH1A1
SCHEMBL4320637 0.81 MAPT (0.48) MAPTHTTALDH1A1AURKAAURKB
SCHEMBL4320632 0.81 MAPT (0.48) MAPTHTTALDH1A1AURKAAURKB
SCHEMBL4316885 0.81 ALDH1A1 (0.48) MAPTHTTALDH1A1AURKAAURKB
SCHEMBL4316878 0.81 ALDH1A1 (0.48) MAPTHTTALDH1A1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 MAPT 4175/4885CYP2C9 2655/4885HTT 1252/4885

“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.