SCHEMBL4313779

SCHEMBL4313779

O=C(Nc1cccc(/C=C/c2n[nH]c3ccccc23)c1OC(=O)c1cccs1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDR P35968 3/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APLNR P35414 1/20 0.40
POLB P06746 2/20 0.39
STK33 Q9BYT3 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
EPHB3 P54753 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4313784 1.00 TSHR (0.43) TSHRPARP1ALDH1A1MAPTKDR
SCHEMBL4314371 0.88 MAPT (0.47) TSHRPARP1ALDH1A1MAPTKDR
SCHEMBL4314375 0.88 MAPT (0.47) TSHRPARP1ALDH1A1MAPTKDR
SCHEMBL4322679 0.81 ALDH1A1 (0.42) TSHRPARP1ALDH1A1MAPTKDR
SCHEMBL4322671 0.81 ALDH1A1 (0.42) TSHRPARP1ALDH1A1MAPTKDR
SCHEMBL4313704 0.79 STK33 (0.52) ALDH1A1MAPTKDRNPC1RAB9A
SCHEMBL4321072 0.78 L3MBTL1 (0.51) MAPTKDRNPC1RAB9AKDM4E
SCHEMBL4321084 0.78 L3MBTL1 (0.51) MAPTKDRNPC1RAB9AKDM4E
SCHEMBL4314836 0.74 ALDH1A1 (0.46) ALDH1A1MAPTKDRNPC1RAB9A
SCHEMBL4314846 0.74 ALDH1A1 (0.46) ALDH1A1MAPTKDRNPC1RAB9A

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 TSHR 61/4885PARP1 3697/4885ALDH1A1 1250/4885

“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.