SCHEMBL17318709

SCHEMBL17318709

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4ccccc4)cn3)n2)oc1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.65
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRACR2A Q9BSW2 4/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.41
DGAT1 O75907 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL15529167 0.88 IL2 (0.53) EPHX2CRACR2A
SCHEMBL15529365 0.85 IL2 (0.52) EPHX2MAPTKDM4ECRACR2A
SCHEMBL15529453 0.84 IL2 (0.55) EPHX2MAPTSMN1; SMN2CRACR2AGAA
SCHEMBL15529219 0.83 EPHX2 (0.42) EPHX2KDM4E
SCHEMBL15529478 0.83 CRACR2A (0.52) EPHX2SMN1; SMN2CRACR2A
SCHEMBL18143557 0.82 EPHX2 (0.65) EPHX2
SCHEMBL30096528 0.80 CRACR2A (0.47) EPHX2CRACR2A
SCHEMBL15529334 0.80 CRACR2A (0.47) EPHX2CRACR2A
SCHEMBL4248491 0.79 EPHX2 (1.00) EPHX2CRACR2AGAA
SCHEMBL15529099 0.78 EPHX2 (0.39) EPHX2MAPTCRACR2A

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
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-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
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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 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 (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-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B EPHX2 2639/4885MAPT 4002/4885KDM4E 4615/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 EPHX2 2369/4885MAPT 4538/4885KDM4E 1696/4885

“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.