SCHEMBL508480

SCHEMBL508480

CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.58
KCNQ2 O43526 6/20 0.58
KCNE1 P15382 3/20 0.58
KCNQ1 P51787 3/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
CSF1R P07333 1/20 0.47
BCAT2 O15382 1/20 0.46
MAOB P27338 1/20 0.44
KDR P35968 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL509115 0.80 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1PTGDR2
SCHEMBL509362 0.80 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1PTGDR2
SCHEMBL17785067 0.79 TRPV1 (0.37) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL20265908 0.77 MAPK7 (0.65) CSF1R
SCHEMBL5214441 0.74 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL20265810 0.74 MAPK7 (0.66)
SCHEMBL8682205 0.72 MAPK1 (0.50) KMT2ANPC1KDM4ERAB9AMAPT
SCHEMBL30792011 0.72 MAPK1 (0.50) KMT2ANPC1KDM4ERAB9AMAPT
SCHEMBL14659544 0.72 ALDH1A1 (0.48) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL8545215 0.72 MAPT (0.46) MAPT

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.