SCHEMBL2945946

SCHEMBL2945946

Nc1cc(F)c(Cl)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9153454 0.84 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779798 0.82 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10922033 0.79 GAA (0.48) GAAALDH1A1
SCHEMBL28271960 0.79 GAA (0.35) GAAALDH1A1
SCHEMBL8525834 0.79 GAA (0.35) GAAALDH1A1
SCHEMBL25248829 0.78 CD44 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873189 0.76 GAA (0.36) GAAALDH1A1
SCHEMBL25244744 0.75 CD44 (0.46) GAAALDH1A1
SCHEMBL6471851 0.75 PTK2 (0.41) GAAALDH1A1
SCHEMBL998262 0.75 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072796-B2 Method for preparing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2015-07-07 US disclosed
US-20140088311-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-03-27 US disclosed
US-8618306-B2 Method for preparing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-12-31 US disclosed
US-20130060044-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-03-07 US disclosed
EP-2548867-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-01-23 EP disclosed
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-01-10 US disclosed
US-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US disclosed
EP-1590318-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2005-11-02 EP disclosed
WO-2004053140-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2004-06-24 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 (5 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-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases EP300, HDAC1, KAT2A GRIN2D 4481/4885GRIN3B 3218/4885GRIN1 2646/4885
US-20140088311-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA NMUR1, NMUR2, NUDT1 GRIN2D 847/4885GRIN3B 1916/4885GRIN1 432/4885
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS PPARD, HDHD5, SCD GRIN2D 3779/4885GRIN3B 4261/4885GRIN1 4662/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 GRIN2D 4563/4885GRIN3B 3822/4885GRIN1 2710/4885
US-20130060044-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA NMUR1, NMUR2, NUDT1 GRIN2D 847/4885GRIN3B 1916/4885GRIN1 432/4885

“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.