SCHEMBL4314932

SCHEMBL4314932

CCCS(=O)(=O)NCCOc1ccc(/C=C/c2n[nH]c3ccccc23)c([N+](=O)[O-])c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.38
MAPT P10636 9/20 0.38
MEN1 O00255 9/20 0.38
LMNA P02545 7/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.34
EDNRB P24530 4/20 0.34
EDNRA P25101 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4314939 1.00 KMT2A (0.38) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4314935 0.84 MAPT (0.38) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4314928 0.84 MAPT (0.38) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4308256 0.83 MAPT (0.41) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4308261 0.83 MAPT (0.41) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4321984 0.82 MAPT (0.41) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4321978 0.82 MAPT (0.41) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4309120 0.80 MAPT (0.45) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4309124 0.80 MAPT (0.45) KMT2AMAPTMEN1LMNANPC1
SCHEMBL4321039 0.79 ALDH1A1 (0.35) KMT2AMAPTMEN1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1924/4885MAPT 4175/4885MEN1 1830/4885

“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.