SCHEMBL201840

SCHEMBL201840

Cc1ccc(N2C(=O)NC(=O)C23CCCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
AR P10275 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
SLC6A9 P48067 4/20 0.38
OPRM1 P35372 1/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL17082946 0.86 POLB (0.48) POLBMAPTALDH1A1GLAAR
SCHEMBL660327 0.85 ADRB1 (0.43) POLBMAPTALDH1A1GLAOPRM1
SCHEMBL659504 0.84 BDKRB2 (0.46) POLBMAPTALDH1A1ARSLC6A9
SCHEMBL17082982 0.84 POLB (0.45) POLBMAPTALDH1A1GLAAR
SCHEMBL421867 0.83 AKR1B1 (0.37) POLBMAPTALDH1A1GLASMN1; SMN2
SCHEMBL17077228 0.83 MAPT (0.45) MAPTALDH1A1ARSLC6A9OPRM1
SCHEMBL18961831 0.83 LMNA (0.46) MAPTSMN1; SMN2SLC6A9OPRM1
SCHEMBL190640 0.83 ALDH1A1 (0.55) POLBMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2544529 0.81 MMP13 (0.46) MAPTSMN1; SMN2SLC6A9OPRM1
SCHEMBL17082985 0.81 AR (0.44) POLBMAPTALDH1A1GLAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944607-B2 Thiohydantoin derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-17 US disclosed
US-9944607-B2 Thiohydantoin derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-17 US disclosed
US-20150259298-A1 THIOHYDANTOIN DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-09-17 US disclosed
US-20150259298-A1 THIOHYDANTOIN DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-09-17 US disclosed
US-8420681-B2 Dioxo-imidazolidine derivatives, which inhibit the enzyme SOAT-1, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-04-16 US disclosed
US-20120021016-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-26 US disclosed
EP-2401260-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097465-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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 (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-20150259298-A1 THIOHYDANTOIN DERIVATIVES AND USES THEREOF TPI1, SLC25A1, HOGA1 POLB 2884/4885MAPT 389/4885ALDH1A1 2008/4885
US-20120021016-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 POLB 887/4885MAPT 2865/4885ALDH1A1 19/4885

“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.