SCHEMBL97195

SCHEMBL97195

[CH2]c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
KDR P35968 1/20 0.47
NOTUM Q6P988 9/20 0.46
RAPGEF4 Q8WZA2 1/20 0.42
PDK1 Q15118 1/20 0.42
NPFFR2 Q9Y5X5 3/20 0.41
NPFFR1 Q9GZQ6 2/20 0.41
PYCR1 P32322 1/20 0.39
LMNA P02545 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
SCHEMBL5537943 0.83 NOTUM (0.33) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL144068 0.82 NOTUM (0.37) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2046047 0.78 NOTUM (0.37) NOTUM
SCHEMBL15263626 0.78 STK17B (0.37) IDO1
SCHEMBL7413160 0.77 SMN1; SMN2 (0.32) LMNA
SCHEMBL2698021 0.76 NOTUM (0.61) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL987352 0.76 IDO1 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29649700 0.76 IDO1 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL9619767 0.76 IDO1 (0.46) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1040760 0.74 CES2 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754569-B Intermediate compound and preparation method and application thereof 四川国为制药有限公司 2024-07-02 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
CN-109678872-B Bisbenzylisoquinoline compound and preparation method and application thereof 山东师范大学 2020-09-29 CN claimed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP claimed
US-20040039017-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
EP-1351688-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP claimed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
WO-2002047687-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 WO claimed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
EP-0835242-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES Novartis AG (CH) 1998-04-15 EP claimed
EP-0777645-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-06-11 EP claimed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 WO claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 WO 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 (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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 IDO1 1378/4885HTR3E 571/4885HTR3B 182/4885
US-20040039017-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, PLAUR IDO1 1383/4885HTR3E 257/4885HTR3B 224/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A IDO1 2498/4885HTR3E 4683/4885HTR3B 4409/4885

“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.