SCHEMBL16624017

SCHEMBL16624017

COC(=O)c1c(C(F)(F)F)c(F)nn1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NOTUM Q6P988 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
MAPK14 Q16539 1/20 0.31
CFTR P13569 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL16626084 0.85 PKM (0.50) PKMNPC1SOS1KDM4EALDH1A1
SCHEMBL18119015 0.81 KMT2A (0.33) PKMNPC1ALDH1A1SMN1; SMN2
SCHEMBL18835450 0.81 PKM (0.44) PKMNPC1SOS1KDM4EALDH1A1
SCHEMBL2363647 0.74 SCN9A (0.46) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL30835660 0.73 TDP1 (0.45) PKMNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2363725 0.71 PKM (0.36) PKMNPC1SOS1GAA
SCHEMBL30835622 0.70 F2 (0.32) PKMNPC1
SCHEMBL30835653 0.70 PKM (0.43) PKMNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL26638936 0.70 NPSR1 (0.34) PKMNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL19555815 0.70 KDM4E (0.41) NPC1KDM4EALDH1A1SMN1; SMN2HPGD

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-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 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-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 PKM 3155/4885NPC1 2168/4885SOS1 3664/4885

“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.