SCHEMBL4317540

SCHEMBL4317540

CCSC(=N)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 3/20 0.49
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
BLM P54132 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 2/20 0.44

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
Hydrochloric Acid SCHEMBL4425282 0.98 LMNA (0.48) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL7979826 0.81 LMNA (0.53) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL7968253 0.80 MAPT (0.54) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL1387758 0.80 L3MBTL1 (0.55) KMT2AEPHX2LMNASMN1; SMN2ALDH1A1
SCHEMBL7788119 0.79 MAPT (0.44) MEN1KMT2AEPHX2LMNAALDH1A1
SCHEMBL1387536 0.79 POLB (0.47) EPHX2LMNAHTTALDH1A1NOS3
Hydrochloric Acid SCHEMBL7785801 0.78 L3MBTL1 (0.54) MEN1KMT2AEPHX2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27547568 0.78 TAAR1 (0.40) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL24879921 0.77 EPHX2 (0.53) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL1387416 0.77 RAB9A (0.45) LMNAHTTSMN1; SMN2ALDH1A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090846-A ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA GLAXO WELLCOME INC. (US) 2000-07-18 US claimed
CN-113302288-B Methods for controlling cell state transitions in cancer 新加坡科技研究局 2025-03-21 CN disclosed
US-20240018230-A1 METHODS FOR TREATING OR MODULATING AN INFLAMMATORY RESPONSE ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2024-01-18 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
CN-102858353-A Spinal cord injury, inflammation, and immune-disease: local controlled release of therapeutic agents INVIVO THERAPEUTICS CORP 2013-01-02 CN disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 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-20240018230-A1 METHODS FOR TREATING OR MODULATING AN INFLAMMATORY RESPONSE IFNG, TNF, IL2 MEN1 3500/4885KMT2A 3862/4885EPHX2 2405/4885

“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.