SCHEMBL128793

SCHEMBL128793

Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
RAB9A P51151 6/20 1.00
ALOX5 P09917 1/20 1.00
MAPT P10636 6/20 0.66
NPC1 O15118 5/20 0.66
KDM4E B2RXH2 5/20 0.66
LTA4H P09960 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
LMNA P02545 1/20 0.66
MKNK1 Q9BUB5 1/20 0.66
MKNK2 Q9HBH9 1/20 0.66
CYP3A4 P08684 1/20 0.60
POLB P06746 1/20 0.59
AR P10275 2/20 0.58
ATP4A P20648 2/20 0.57

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
Iodide SCHEMBL6959702 0.98 ALDH1A1 (0.96) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL29653953 0.91 ALDH1A1 (0.83) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL1771825 0.89 ALDH1A1 (0.79) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL23610361 0.87 ALDH1A1 (0.83) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL172279 0.83 ALDH1A1 (0.70) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL8864223 0.82 RAB9A (0.69) ALDH1A1RAB9AALOX5MAPTNPC1
Iodide SCHEMBL6175053 0.81 ALDH1A1 (0.68) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL231094 0.79 LTA4H (0.80) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL3761118 0.79 RAB9A (0.66) ALDH1A1RAB9AALOX5MAPTNPC1
SCHEMBL15829173 0.79 ALDH1A1 (0.66) ALDH1A1RAB9AALOX5MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
EP-1353676-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON INC (US) 2006-05-31 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1353676-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS Alteon, Inc. (US) 2003-10-22 EP claimed
WO-2002053161-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON, INC. (US) 2002-07-11 WO claimed
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 US disclosed
CN-115466229-B Para-amidobenzenesulfonyl compound and application thereof 上海中医药大学 2025-01-24 CN disclosed
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-11-28 US disclosed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN disclosed
CN-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 CN disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 EP disclosed
EP-1717225-A1 BICYCLIC AMIDE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2006-11-02 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20050153977-A1 2-Acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2005-07-14 US disclosed
CN-1639157-A 2-acylaminothiazole derivative or salt thereof YAMANOUCHI PHARMA CO LTD (JP) 2005-07-13 CN disclosed
EP-1466912-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-10-13 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN 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-20050153977-A1 2-Acylaminothiazole derivative or salt thereof MPL, JAK2, ABL1 ALDH1A1 2060/4885RAB9A 2257/4885ALOX5 3378/4885
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B ALDH1A1 4380/4885RAB9A 1085/4885ALOX5 1595/4885
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALDH1A1 1731/4885RAB9A 2420/4885ALOX5 302/4885

“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.