SCHEMBL145696

SCHEMBL145696

NC(=S)Nc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 1/20 0.37
TYR P14679 1/20 0.37
TAS2R38 P59533 1/20 0.37
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 2/20 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
SCHEMBL3183385 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRHSD17B10TP53
SCHEMBL3085435 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAAKMT2A
SCHEMBL20560209 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRGAAKMT2A
SCHEMBL4610474 0.72 GAA (0.45) ALDH1A1L3MBTL1TSHRHSD17B10TP53
SCHEMBL3183377 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRGAAKMT2A
SCHEMBL3070011 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRGAAKMT2A
SCHEMBL3077004 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRGAAKMT2A
SCHEMBL3068712 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRHSD17B10GAA
SCHEMBL144202 0.70 KMT2A (0.50) ALDH1A1L3MBTL1TSHRHSD17B10TP53
SCHEMBL1885075 0.70 KMT2A (0.48) ALDH1A1L3MBTL1TSHRHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118825418-A Low-temperature electrolyte suitable for lithium/sodium ion battery 哈尔滨工业大学 2024-10-22 CN claimed
CN-116514834-A Chiral alpha-CF 2 H spiro [ pyrrolidine-pyrazolones]Synthesis method of class compound 深圳市图微安创科技开发有限公司 2023-08-01 CN claimed
CN-113394456-A Lithium metal battery electrolyte additive and application thereof 厦门大学 2021-09-14 CN claimed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
CN-118825418-A Low-temperature electrolyte suitable for lithium/sodium ion battery 哈尔滨工业大学 2024-10-22 CN disclosed
CN-116514834-A Chiral alpha-CF 2 H spiro [ pyrrolidine-pyrazolones]Synthesis method of class compound 深圳市图微安创科技开发有限公司 2023-08-01 CN disclosed
CN-113394456-B Lithium metal battery electrolyte additive and application thereof 厦门大学 2022-11-11 CN disclosed
US-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2022-10-11 US disclosed
CN-113394456-A Lithium metal battery electrolyte additive and application thereof 厦门大学 2021-09-14 CN disclosed
CN-112582673-A Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2021-03-30 CN disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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 (4 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-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same NOTUM, ALDH7A1, AADAT ALDH1A1 612/4885L3MBTL1 3229/4885TSHR 4266/4885
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885L3MBTL1 1736/4885TSHR 4442/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885L3MBTL1 3309/4885TSHR 271/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ALDH1A1 378/4885L3MBTL1 2082/4885TSHR 4796/4885

“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.