SCHEMBL294025

SCHEMBL294025

Nc1nnc(C(F)(F)F)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
FBP1 P09467 1/20 0.39
POLB P06746 2/20 0.34
CA12 O43570 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
MPI P34949 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10668001 0.80 ALDH1A1 (0.67) ALDH1A1CA1CA2CA4CA5A
SCHEMBL26132311 0.80 ALDH1A1 (0.67) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11615294 0.80 ALDH1A1 (0.67) ALDH1A1CA1CA2CA4CA5A
SCHEMBL15349261 0.80 ALDH1A1 (0.67) ALDH1A1CA1CA2CA4CA5A
SCHEMBL31339479 0.80 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL12186574 0.78 ALDH1A1 (0.64) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2813746 0.77 ALDH1A1 (0.61) ALDH1A1CA1CA2CA4CA5A
SCHEMBL15349614 0.77 ALDH1A1 (0.61) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11804342 0.75 ALDH1A1 (0.59) ALDH1A1FBP1NPC1RAB9ASMN1; SMN2
SCHEMBL11553876 0.74 ALDH1A1 (0.58) ALDH1A1CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118136959-A Application of thiadiazole compound as additive of lithium sulfur battery electrolyte 吉林省东驰新能源科技有限公司 2024-06-04 CN claimed
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 WO claimed
CN-109053634-A A kind of preparation method of thiazfluron raw medicine 河北工业大学 2018-12-21 CN claimed
CN-107501348-A The preparation method of 2 (4 trifluoromethyl) 6 ferrocenyl imidazo [2,1 b] 1,3,4 thiadiazoles 张家港贸安贸易有限公司 2017-12-22 CN claimed
CN-103242308-B 2-fluoro pyridine derivatives, as well as preparation method and application thereof UNIV QINGDAO AGRICULTURAL 2015-07-01 CN claimed
CN-103242308-A 2-fluoro pyridine derivatives, as well as preparation method and application thereof UNIV QINGDAO AGRICULTURAL 2013-08-14 CN claimed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US claimed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673784-A2 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-0333317-B1 Low heat generation type rubber compositions BRIDGESTONE CORP (JP) 1994-01-26 EP claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed
US-5151468-A Rubbers for tires BRIDGESTONE CORPORATION (JP) 1992-09-29 US claimed
EP-0333317-A1 Low heat generation type rubber compositions Bridgestone Corporation (JP) 1989-09-20 EP claimed

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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP ALDH1A1 1971/4885CA1 1599/4885CA2 3726/4885

“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.