SCHEMBL508222

SCHEMBL508222

Clc1ccc(COc2ccc(CBr)cc2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
S1PR1 P21453 1/20 0.51
HTR2A P28223 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
S1PR5 Q9H228 1/20 0.51
MAOB P27338 7/20 0.50
MAOA P21397 2/20 0.50
PTPN1 P18031 2/20 0.50
CYP2D6 P10635 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR1 O14842 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL28020585 0.86 S1PR1 (0.49) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL1508212 0.86 APP (0.56) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL11118881 0.85 MRGPRX4 (0.59) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL5512534 0.84 IDO1 (0.53) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL6745212 0.82 IDO1 (0.52) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL12584867 0.82 MAOB (0.54) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL508773 0.82 S1PR1 (0.55) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL11089926 0.82 IDO1 (0.56) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL4796227 0.81 NPC1 (0.60) IDO1S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL539355 0.80 S1PR1 (0.53) S1PR1HTR2AKCNH2SIGMAR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383789-A Pyrazole compound as CRTH2 antagonists 艾克提麦斯医药品有限公司 2018-08-10 CN disclosed
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
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP 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 (2 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 IDO1 3320/4885S1PR1 4021/4885HTR2A 4451/4885
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 IDO1 2730/4885S1PR1 1428/4885HTR2A 630/4885

“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.