SCHEMBL1720441

SCHEMBL1720441

ONC(=Nc1ccc(Cl)nc1)c1cccnc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.49
TDO2 P48775 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.32
KDR P35968 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
SCHEMBL1720439 0.75 KCNQ3 (0.45) NAPRTALDH1A1
SCHEMBL1720440 0.75 KCNQ3 (0.45) NAPRTALDH1A1
SCHEMBL1721583 0.68 KCNQ3 (0.46) NAPRTALDH1A1
SCHEMBL1720895 0.68 KCNQ3 (0.59) ALDH1A1
SCHEMBL9764697 0.66 ADRA2A (0.59) IDO1TDO2ADRA2AADRA2BADRA2C
SCHEMBL29335085 0.64 NAPRT (0.53) NAPRTALDH1A1
SCHEMBL6069313 0.64 NAPRT (0.53) NAPRTALDH1A1
SCHEMBL429687 0.63 NAPRT (0.68) NAPRTALDH1A1
SCHEMBL28705950 0.61 NAPRT (0.70) NAPRTALDH1A1
SCHEMBL20659161 0.60 NAPRT (0.49) NAPRTALDH1A1KDR

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 3 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 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 IDO1 2966/4885TDO2 2854/4885ADRA2A 216/4885

“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.