SCHEMBL31097149

SCHEMBL31097149

NCc1ccc2c(cnn2C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.36
TGFBR1 P36897 1/20 0.36
ROCK1 Q13464 1/20 0.35
CACNA1H O95180 1/20 0.34
CYP2A6 P11509 1/20 0.34
SMO Q99835 2/20 0.33
CTNNB1 P35222 2/20 0.33
TCF7 P36402 1/20 0.33
CDH1 P12830 1/20 0.33
TCF4 P15884 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL23309033 0.84 HDAC8 (0.52) HDAC8HTR2AHTR2CCYP1A2TGFBR1
SCHEMBL15910951 0.78 CHEK1 (0.49) HDAC8HTR2AHTR2CCYP1A2TGFBR1
SCHEMBL30168569 0.78 CHEK1 (0.49) HDAC8HTR2AHTR2CCYP1A2TGFBR1
SCHEMBL29728749 0.75 CTNNB1 (0.54) HTR2ACACNA1HCTNNB1TCF7
SCHEMBL904751 0.75 CTNNB1 (0.54) HTR2ACACNA1HCTNNB1TCF7
SCHEMBL23886616 0.75 HDAC8 (0.48) HDAC8HTR2AHTR2CCYP1A2TGFBR1
SCHEMBL21509551 0.72 NR3C1 (0.38) HDAC8HTR2AHTR2CCYP1A2TGFBR1
SCHEMBL904745 0.72 HTR2A (0.43) HTR2AHTR2CCACNA1HCTNNB1TCF7
SCHEMBL23904599 0.72 SCN9A (0.44) HDAC8CYP1A2TGFBR1
SCHEMBL24338731 0.71 HDAC8 (0.41) HDAC8HTR2AHTR2CCA12CA2

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-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 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-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 HDAC8 531/4885HTR2A 4483/4885HTR2C 4658/4885

“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.