SCHEMBL938534

SCHEMBL938534

CCn1nc(C(F)(F)F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPO P05164 1/20 0.37
TGFBR1 P36897 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL538163 0.85 LMNA (0.44) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL23402761 0.82 GRN (0.44) KDM4EGAAALDH1A1
SCHEMBL1591305 0.79 MPO (0.44) LMNASTIM1ORAI1KDM4ETP53
SCHEMBL24401110 0.79 ESR1 (0.37) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL13169975 0.79 LMNA (0.46) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL8322070 0.78 LMNA (0.55) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL769183 0.78 LMNA (0.41) LMNASTIM1ORAI1KDM4ETP53
SCHEMBL13184397 0.78 MPO (0.43) LMNASTIM1ORAI1KDM4ETP53
SCHEMBL15148105 0.78 GRN (0.48) LMNAKDM4EPOLBTSHRHDAC3
SCHEMBL16564299 0.77 MPO (0.42) LMNASTIM1ORAI1KDM4ETP53

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653423-A1 PYRAZOL-5-ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC Nantong Chemical Co., Ltd. (CN) 2025-11-26 EP disclosed
WO-2024199260-A1 PYRAZOL-5-ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2024-10-03 WO disclosed
CN-118702628-A Pyrazole-5-ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-09-27 CN disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 WO disclosed
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed
EP-0789698-B1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 1999-07-07 EP disclosed
US-5763359-A N-(1-ethyl-4-pyrazolyl)triazoloazinesulfonamide herbicides DOW AGROSCIENCES LLC (US) 1998-06-09 US disclosed
EP-0789698-A1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOWELANCO (US) 1997-08-20 EP disclosed
WO-1997008172-A1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOWELANCO (US) 1997-03-06 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 (3 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E LMNA 2616/4885STIM1 61/4885ORAI1 1/4885
US-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 LMNA 4793/4885STIM1 2873/4885ORAI1 4095/4885
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A LMNA 2660/4885STIM1 316/4885ORAI1 87/4885

“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.