SCHEMBL3404607

SCHEMBL3404607

Cc1nn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
PDE2A O00408 7/20 0.45
KMT2A Q03164 1/20 0.44
SYK P43405 1/20 0.41
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 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
SCHEMBL5906300 0.82 ATM (0.59) ATMKMT2ASYKHIF1ALMNA
SCHEMBL23565228 0.81 ABHD16A (0.44) ATMKMT2ALMNASMN1; SMN2
SCHEMBL8721162 0.80 L3MBTL1 (0.56) ATMPDE2AKMT2AKDM4ENPBWR1
SCHEMBL7067294 0.78 GAA (0.47) KMT2ALMNASMN1; SMN2
SCHEMBL13114729 0.78 NPC1 (0.47) ATMKMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3170478 0.78 MAPK1 (0.47) ATMKMT2AHIF1ALMNASMN1; SMN2
SCHEMBL9226052 0.77 L3MBTL1 (0.43) ATMPDE2AKMT2ALMNASMN1; SMN2
SCHEMBL7838265 0.74 CDK4 (0.54)
SCHEMBL8386511 0.72 HCAR1 (0.47) KMT2ALMNAKDM4E
SCHEMBL18656523 0.71 ALDH1A1 (0.34) ATMKMT2ALMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD ATM 2924/4885PDE2A 1312/4885KMT2A 2932/4885

“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.