SCHEMBL168023

SCHEMBL168023

CCOC(=O)c1c(C)sc(Cl)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.56
ALDH1A1 P00352 9/20 0.52
HPGD P15428 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
GRM6 O15303 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL8626817 0.87 GRM6 (0.60) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL168027 0.82 FHIT (0.61) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1605021 0.82 ALDH1A1 (0.68) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL14708470 0.80 FHIT (0.74) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL14948701 0.79 MAPT (0.69) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL168011 0.78 FHIT (0.56) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16759538 0.77 ALDH1A1 (0.55) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28538959 0.76 MAPT (0.65) ALDH1A1HPGDMAPTSMN1; SMN2GAA
SCHEMBL18430421 0.76 ALDH1A1 (0.71) FHITALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6799207 0.74 CYP1A2 (0.34) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 FHIT 3515/4885ALDH1A1 1382/4885HPGD 3397/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 FHIT 2156/4885ALDH1A1 748/4885HPGD 1200/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 FHIT 4798/4885ALDH1A1 2329/4885HPGD 740/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 FHIT 2156/4885ALDH1A1 748/4885HPGD 1200/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 FHIT 4862/4885ALDH1A1 1023/4885HPGD 2924/4885

“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.