SCHEMBL4516945

SCHEMBL4516945

Oc1c(Cl)cc(-c2ncnn2Cc2cccc(OC(F)(F)F)c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 3/20 0.42
P2RX7 Q99572 3/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FEN1 P39748 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 3/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX5 P09917 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR2 P21452 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 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
SCHEMBL4496912 0.89 HSD17B13 (0.44) HSD17B13P2RX7HDAC1HDAC6PPARG
SCHEMBL4505012 0.78 HDAC1 (0.44) P2RX7HDAC1HDAC6PPARGPPARA
SCHEMBL4372432 0.73 HSD17B13 (0.43) HSD17B13P2RX7HDAC1HDAC6
SCHEMBL1114749 0.73 HSD17B13 (0.40) HSD17B13P2RX7FEN1DRD2DRD1
SCHEMBL28160866 0.72 KCNN3 (0.46) P2RX7CHRM3KCNH2KCNN3RORC
SCHEMBL3240176 0.70 RXRA (0.43) P2RX7FEN1
SCHEMBL17159732 0.69 PDE10A (0.45) P2RX7KCNH2KCNN3RORCKCNN4
SCHEMBL27925625 0.69 KCNH2 (0.39) HDAC1HDAC6KCNH2
SCHEMBL1114748 0.69 HSD17B13 (0.40) HSD17B13P2RX7FEN1KCNN3SCD
SCHEMBL4504413 0.67 FEN1 (0.39) HSD17B13FEN1KCNN4

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885P2RX7 449/4885HDAC1 2458/4885

“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.