SCHEMBL3954256

SCHEMBL3954256

Cc1cc(C)c(NC(=O)Oc2ccccc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NLRP3 Q96P20 1/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL9784474 0.87 POLB (0.55) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL10526068 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL18183316 0.84 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL29739340 0.84 NPSR1 (0.51) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL27485204 0.81 KMT2A (0.51) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL3984703 0.81 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL11668327 0.81 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL8809532 0.80 PKM (0.48) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL29739311 0.80 NPC1 (0.51) ALDH1A1MAPTKDM4ECYP1A2KMT2A
Hydrochloric Acid SCHEMBL8808042 0.79 PKM (0.47) ALDH1A1MAPTKDM4ECYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
US-7531576-B2 Biphenyl derivatives POLA CHEMICAL INDUSTRIES, INC. (JP) 2009-05-12 US disclosed
EP-1354871-B1 BIPHENYL DERIVATIVES POLA PHARMA INC (JP) 2008-02-20 EP disclosed
US-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-03-11 US disclosed
EP-1354871-A1 BIPHENYL DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-10-22 EP disclosed
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP 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 (2 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-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis ACAT2, LCAT, NAT1 ALDH1A1 1988/4885MAPT 2328/4885KDM4E 1512/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP ALDH1A1 3558/4885MAPT 1672/4885KDM4E 3179/4885

“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.