SCHEMBL3403397

SCHEMBL3403397

COC(=O)CNCc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 5/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
KCNMA1 Q12791 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
SCHEMBL3760394 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL27719772 0.83 PDGFRB (0.56) ALDH1A1KMT2AMAPTMAPK1TDP1
SCHEMBL17957930 0.83 VCAM1 (0.52) ALDH1A1KMT2APDGFRBFGFR1PDGFRA
SCHEMBL5121261 0.82 MAOB (0.44) ALDH1A1TDP1
SCHEMBL7654856 0.81 TDP1 (0.52) ALDH1A1KMT2AMAPTMAPK1TDP1
SCHEMBL3402047 0.81 KMT2A (0.50) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL27829833 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL10677552 0.79 LMNA (0.47) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL3841711 0.78 LMNA (0.55) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL30937543 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 ALDH1A1 411/4885KMT2A 4445/4885KDM4E 1881/4885

“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.