SCHEMBL509115

SCHEMBL509115

O=C(Nc1ccc(CO)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.71
KCNQ2 O43526 6/20 0.71
KCNE1 P15382 5/20 0.71
KCNQ1 P51787 5/20 0.71
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.57
BCAT2 O15382 1/20 0.56
CSF1R P07333 1/20 0.53
MAOB P27338 2/20 0.52
KCNQ5 Q9NR82 1/20 0.51
CXCR2 P25025 1/20 0.50

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
SCHEMBL509362 0.89 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL775201 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL5214441 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL508480 0.80 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL14516641 0.80 KCNQ3 (0.76) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL9566835 0.79 P4HTM (0.63) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL2696198 0.79 KDM4E (0.74) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL27905928 0.77 SMN1; SMN2 (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL9566833 0.76 P4HTM (0.63) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL9566797 0.75 P4HTM (0.67) KCNQ3KCNQ2KCNE1KCNQ1MEN1

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-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 KCNQ3 2264/4885KCNQ2 2284/4885KCNE1 2492/4885

“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.