SCHEMBL20768896

SCHEMBL20768896

NCc1c(F)cc(B(O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
F11 P03951 1/20 0.40
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL16193057 0.79 TAAR1 (0.32) TAAR1ENPP2
SCHEMBL4469629 0.79 ENPP2 (0.39) TAAR1ENPP2
SCHEMBL31652639 0.73 TAAR1 (0.70) TAAR1KDM4EALDH1A1ENPP2
SCHEMBL29650231 0.72 F11 (0.45) F11KDM4EALDH1A1ENPP2
SCHEMBL2722490 0.72 F11 (0.45) F11KDM4EALDH1A1ENPP2
SCHEMBL177479 0.72 CES2 (0.42) KDM4EALDH1A1ENPP2
SCHEMBL857045 0.72 TAAR1 (0.42) TAAR1ALDH1A1
SCHEMBL28837730 0.71 F11 (0.48) TAAR1F11ALDH1A1ENPP2
SCHEMBL20606030 0.71 PARP1 (0.36) KDM4EALDH1A1ENPP2
Hydrochloric Acid SCHEMBL17645949 0.71 F11 (0.48) F11KDM4EALDH1A1ENPP2

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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 TAAR1 3566/4885F11 2004/4885KDM4E 54/4885

“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.