SCHEMBL171012

SCHEMBL171012

Cc1cc(C)c(N2CCOCC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.46
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL13648225 0.84 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL19170774 0.84 ALDH1A1 (0.51) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL13648193 0.78 MAPT (0.59) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL19088579 0.76 NPSR1 (0.58) MAPTTHRBKMT2AAKR1C3NPSR1
SCHEMBL23360706 0.76 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL30168920 0.76 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL8263576 0.74 MAPT (0.62) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL12864867 0.74 MAPT (0.64) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL19623582 0.74 MAPT (0.52) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL19212319 0.73 MAPT (0.53) MAPTGAASMN1; SMN2MAPK1ALDH3A1

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 16 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-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
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-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 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 (6 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 MAPT 3584/4885GAA 2382/4885SMN1; SMN2 2417/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS MAPT 2288/4885GAA 1401/4885SMN1; SMN2 4056/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 MAPT 758/4885GAA 3167/4885SMN1; SMN2 2976/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 MAPT 1370/4885GAA 1611/4885SMN1; SMN2 2588/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 MAPT 758/4885GAA 3167/4885SMN1; SMN2 2976/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 MAPT 2963/4885GAA 659/4885SMN1; SMN2 3294/4885

“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.