SCHEMBL3592541

SCHEMBL3592541

O=[N+]([O-])c1cc(-c2nnn(-c3ccc(C(F)(F)F)cn3)n2)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PTPN1 P18031 4/20 0.38
PTPN6 P29350 3/20 0.38
PTPN2 P17706 2/20 0.38
CYP19A1 P11511 2/20 0.35
SERPINE1 P05121 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
MET P08581 1/20 0.35
TDO2 P48775 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL1447746 0.85 PTPN1 (0.37) POLBPTPN1PTPN6PTPN2CYP19A1
SCHEMBL4942826 0.80 POLB (0.35) POLBPTPN1PTPN6PTPN2CYP19A1
SCHEMBL3588388 0.77 TTR (0.46) POLBSERPINE1MEN1KMT2AMAPT
SCHEMBL1447254 0.70 MRGPRX4 (0.44) CYP19A1MRGPRX4
SCHEMBL27717189 0.70 MAPT (0.48) PTPN1PTPN6PTPN2PTGESTDO2
SCHEMBL1447240 0.69 POLB (0.46) POLBNPC1MAPTRAB9A
SCHEMBL3922556 0.68 RXRA (0.52) POLBMRGPRX4PTGESMEN1KMT2A
SCHEMBL1447215 0.67 POLB (0.43) POLBNPC1MAPTRAB9A
SCHEMBL1447293 0.67 POLB (0.49) POLBMEN1KMT2ANPC1MAPT
SCHEMBL3581595 0.66 POLB (0.47) POLBNPC1MAPTRAB9A

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 8 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
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US 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 POLB 3382/4885PTPN1 1222/4885PTPN6 1051/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 POLB 3382/4885PTPN1 1222/4885PTPN6 1051/4885

“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.