SCHEMBL16650514

SCHEMBL16650514

Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4nn(C)c(=O)o4)cc3C(F)(F)F)cn2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.48
ALOX5 P09917 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
IL2 P60568 4/20 0.43
TP53 P04637 2/20 0.39
TNF P01375 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
F10 P00742 1/20 0.35
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL30096541 1.00 EPHX2 (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL16650186 0.94 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096615 0.94 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096542 0.89 EPHX2 (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15529085 0.89 EPHX2 (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15529498 0.89 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096551 0.89 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096539 0.88 IL2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15529023 0.88 IL2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096604 0.88 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US claimed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US claimed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US claimed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US claimed
US-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome CALCIMEDICA, INC. (US) 2026-02-10 US disclosed
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS AVENUE CAPITAL MANAGEMENT II, L.P. 2025-04-17 US disclosed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO disclosed
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME AVENUE CAPITAL MANAGEMENT II, L.P. 2023-04-20 US disclosed
CN-115835878-A Methods and compositions for treating acute lung injury and acute respiratory distress syndrome 钙医学公司 2023-03-21 CN disclosed
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed
WO-2021189013-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME CALCIMEDICA, INC. (US) 2021-09-23 WO disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 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 (6 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome ORAI1, MAVS, CASR EPHX2 2544/4885ALOX5 2798/4885TBXAS1 1614/4885
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 EPHX2 4022/4885ALOX5 982/4885TBXAS1 985/4885
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS IL1B, MAVS, MMP8 EPHX2 2452/4885ALOX5 682/4885TBXAS1 1572/4885
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B EPHX2 2639/4885ALOX5 947/4885TBXAS1 1491/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 EPHX2 2369/4885ALOX5 595/4885TBXAS1 2026/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 EPHX2 4022/4885ALOX5 982/4885TBXAS1 985/4885

“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.