SCHEMBL4311237

SCHEMBL4311237

O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDGFRB P09619 2/20 0.45
PDGFRA P16234 1/20 0.45
KDR P35968 2/20 0.44
FGFR1 P11362 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
LTA4H P09960 3/20 0.41
PPARG P37231 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL4321132 1.00 KDM4E (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4315583 0.85 CHEK1 (0.46) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4315576 0.85 CHEK1 (0.46) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4312094 0.85 FGFR1 (0.49) KDM4ENPC1RAB9AALDH1A1PDGFRB
SCHEMBL4312096 0.85 FGFR1 (0.49) KDM4ENPC1RAB9AALDH1A1PDGFRB
SCHEMBL5692316 0.83 CYP1A2 (0.49) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5692313 0.83 CYP1A2 (0.49) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4312109 0.81 CYP2D6 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4312101 0.81 CYP2D6 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL4321161 0.81 MAPT (0.58) KDM4ENPC1RAB9AALDH1A1PDGFRB

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 KDM4E 1251/4885NPC1 2575/4885RAB9A 2711/4885

“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.