SCHEMBL2494559

SCHEMBL2494559

FC(F)(F)c1ccccc1[CH]c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.55
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
TNF P01375 2/20 0.48
IL6 P05231 1/20 0.48
MAOB P27338 4/20 0.46
P4HB P07237 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
RAB9A P51151 2/20 0.44
NOD1 Q9Y239 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL15637375 0.87 NFKB1 (0.46) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3244255 0.86 NFKB1 (0.48) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16225857 0.85 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3647881 0.82 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL323188 0.82 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL637114 0.82 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5286607 0.80 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5544464 0.80 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2154641 0.80 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL67207 0.80 NFKB1 (0.57) NFKB1GRIN2DGRIN3BGRIN1GRIN2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 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 (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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH NFKB1 4818/4885GRIN2D 3557/4885GRIN3B 2745/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R NFKB1 4781/4885GRIN2D 1297/4885GRIN3B 513/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 NFKB1 4821/4885GRIN2D 3290/4885GRIN3B 2453/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R NFKB1 4799/4885GRIN2D 3230/4885GRIN3B 2493/4885

“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.