SCHEMBL1721575

SCHEMBL1721575

Cc1ccc2c(NCc3ccc(SC(F)(F)F)cc3)noc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.43
PTPN1 P18031 2/20 0.43
EPHX2 P34913 2/20 0.41
SLC26A6 Q9BXS9 5/20 0.39
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL1720781 0.86 EPHX2 (0.44) PTPRZ1PTPN1EPHX2SLC26A6NR1H4
SCHEMBL1721505 0.80 EPHX2 (0.47) PTPRZ1PTPN1EPHX2NR1H4HDAC1
SCHEMBL1720776 0.79 PTPRZ1 (0.44) PTPRZ1PTPN1EPHX2LMNAKDM4E
SCHEMBL2769324 0.76 EPHX2 (0.70) PTPRZ1PTPN1EPHX2NR1H4MAPT
SCHEMBL2768550 0.75 EPHX2 (0.50) PTPRZ1PTPN1EPHX2NR1H4HDAC1
SCHEMBL1721129 0.73 EPHX2 (0.50) PTPRZ1PTPN1EPHX2NR1H4HDAC1
SCHEMBL1720758 0.73 EPHX2 (0.50) PTPRZ1PTPN1EPHX2NR1H4HDAC1
SCHEMBL2768924 0.73 EPHX2 (0.50) PTPRZ1PTPN1EPHX2HDAC1HDAC6
SCHEMBL2767896 0.72 EPHX2 (0.49) PTPRZ1PTPN1EPHX2NR1H4LMNA
SCHEMBL1720963 0.71 EPHX2 (0.50) PTPRZ1PTPN1EPHX2NR1H4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US claimed
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 PTPRZ1 1966/4885PTPN1 2969/4885EPHX2 4263/4885

“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.