SCHEMBL509233

SCHEMBL509233

CCOC(=O)Cc1c(-c2ccccc2)n[nH]c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGDS O60760 1/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL9714918 0.85 LMNA (0.54) LMNAHSD17B10USP2TSHRMAPK1
Hydrochloric Acid SCHEMBL9715094 0.84 LMNA (0.53) LMNAHSD17B10USP2TSHRMAPK1
SCHEMBL11242632 0.81 KDM4E (0.50) LMNAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL17279855 0.80 SMN1; SMN2 (0.42) LMNAUSP2TSHRMAPK1HPGDS
SCHEMBL22769602 0.76 KDM4E (0.45) LMNAHSD17B10MAPK1KDM4EALDH1A1
SCHEMBL12567890 0.76 ALDH1A1 (0.55) HSD17B10MAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11838994 0.76 LMNA (0.59) LMNAHSD17B10USP2TSHRMAPK1
SCHEMBL9714922 0.75 ALDH1A1 (0.44) LMNAHSD17B10USP2TSHRMAPK1
SCHEMBL5381820 0.75 LMNA (0.54) LMNAHSD17B10USP2TSHRMAPK1
SCHEMBL9536890 0.75 LMNA (0.62) LMNAHSD17B10USP2TSHRMAPK1

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
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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 LMNA 3633/4885HSD17B10 3028/4885USP2 3511/4885

“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.