SCHEMBL694899

SCHEMBL694899

FC(F)(F)c1ccc(-c2cc[c]s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.43
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
BACE1 P56817 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL10718522 0.88 KIF11 (0.39) KIF11MKNK1MKNK2ALDH1A1TSHR
SCHEMBL4897549 0.83 NOTUM (0.41) KIF11MAOBTSHR
SCHEMBL2751379 0.82 RXRA (0.37) CES2
SCHEMBL4410895 0.80 KIF11 (0.41) KIF11ALDH1A1TSHRNISCH
SCHEMBL2751410 0.77 NOTUM (0.40) KIF11
SCHEMBL1415990 0.77 HSD17B1 (0.36) ALDH1A1
SCHEMBL4407233 0.76 ERCC5 (0.40) KIF11NISCH
SCHEMBL10717735 0.75 LMNA (0.31)
SCHEMBL10472473 0.73 KIF11 (0.33) KIF11
SCHEMBL2749905 0.73 CES2 (0.39) TSHRBACE1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307742-A Blue light absorption material, preparation method and application thereof, and blue light prevention lens 南京工业大学 2021-08-27 CN claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
CN-113307742-B Blue light absorption material, preparation method and application thereof, and blue light prevention lens 南京工业大学 2022-05-17 CN disclosed
CN-113307742-B Blue light absorption material, preparation method and application thereof, and blue light prevention lens 南京工业大学 2022-05-17 CN disclosed
CN-113307742-A Blue light absorption material, preparation method and application thereof, and blue light prevention lens 南京工业大学 2021-08-27 CN disclosed
CN-113307742-A Blue light absorption material, preparation method and application thereof, and blue light prevention lens 南京工业大学 2021-08-27 CN disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-1663976-B1 4-PYRIDINYLMETHYL SULFONAMIDE DERIVATIVES AS FUNGICIDAL PLANT PROTECTION AGENTS BASF SE (DE) 2009-12-30 EP disclosed
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US disclosed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R KIF11 2995/4885MKNK1 2725/4885MKNK2 3209/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R KIF11 3540/4885MKNK1 2305/4885MKNK2 2778/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KIF11 4060/4885MKNK1 4003/4885MKNK2 4268/4885
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests C1S, C5, HRH4 KIF11 3108/4885MKNK1 2626/4885MKNK2 2029/4885

“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.