SCHEMBL3589515

SCHEMBL3589515

FC(F)(F)c1ncccc1-c1nn[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TAS2R14 Q9NYV8 8/20 0.49
KDM4E B2RXH2 2/20 0.48
PBRM1 Q86U86 1/20 0.47
IDO1 P14902 1/20 0.47
GAA P10253 1/20 0.47
LDHA P00338 1/20 0.47
CASP6 P55212 1/20 0.43
CYP2A6 P11509 1/20 0.42

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
SCHEMBL1734017 0.75 IDO1 (0.61) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL13113121 0.75 MEN1 (0.66) MEN1ALDH1A1KMT2AL3MBTL1TAS2R14
SCHEMBL20552535 0.74 PLK1 (0.59) MEN1ALDH1A1KMT2AL3MBTL1TAS2R14
SCHEMBL29888967 0.74 PLK1 (0.59) MEN1ALDH1A1KMT2AL3MBTL1TAS2R14
SCHEMBL27021634 0.72 ALDH1A1 (0.56) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL30740388 0.71 DHODH (0.36) ALDH1A1KMT2AL3MBTL1
SCHEMBL31419367 0.70 ALDH1A1 (0.53) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL20552659 0.69 DHODH (0.53) TAS2R14IDO1CASP6
SCHEMBL31324840 0.68 KDM4E (0.61) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL14262602 0.68 MEN1 (0.73) MEN1ALDH1A1KMT2AL3MBTL1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
CN-101454285-B Oxadiazole derivatives as comt inhibitors PORTELA & CA SA 2012-06-27 CN disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
CN-101454285-A Oxadiazole derivatives as comt inhibitors PORTELA & CA SA (PT) 2009-06-10 CN disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 WO 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 (2 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 MEN1 3595/4885ALDH1A1 1070/4885KMT2A 3356/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MEN1 3595/4885ALDH1A1 1070/4885KMT2A 3356/4885

“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.