SCHEMBL171107

SCHEMBL171107

Cc1cc(C)c(OCCN2CCCC2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LTA4H P09960 1/20 0.49
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL14421921 0.88 TDP1 (0.56) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL171015 0.87 NPC1 (0.65) SMN1; SMN2KDM4EHTTTSHRMEN1
SCHEMBL171148 0.87 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL13648209 0.87 TDP1 (0.52) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL165581 0.83 KDM4E (0.53) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL13648169 0.81 ALDH1A1 (0.58) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL14970479 0.79 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL12726118 0.77 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL13861966 0.77 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ETDP1HTTTSHR
SCHEMBL14453571 0.76 SMN1; SMN2 (0.97) SMN1; SMN2KDM4ETDP1HTTTSHR

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 SMN1; SMN2 2417/4885KDM4E 1022/4885TDP1 1372/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS SMN1; SMN2 4056/4885KDM4E 2459/4885TDP1 835/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 SMN1; SMN2 2976/4885KDM4E 480/4885TDP1 2246/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 SMN1; SMN2 2588/4885KDM4E 1691/4885TDP1 1060/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 SMN1; SMN2 2976/4885KDM4E 480/4885TDP1 2246/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 SMN1; SMN2 3294/4885KDM4E 1349/4885TDP1 2019/4885

“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.