SCHEMBL165584

SCHEMBL165584

CNCCOc1cc(Cl)c(C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.42
HTR1B P28222 2/20 0.42
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR1D P28221 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL171081 0.82 RAF1 (0.39) RAF1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL171047 0.81 HTR1B (0.49) RAF1HTR1BKDM4EALDH1A1LMNA
SCHEMBL168956 0.79 KDM4E (0.49) RAF1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL171028 0.77 KDM4E (0.46) KDM4EALDH1A1LMNASMN1; SMN2MCHR1
SCHEMBL170572 0.76 ALDH1A1 (0.47) RAF1HTR1BKDM4EALDH1A1LMNA
SCHEMBL167590 0.74 MAPT (0.40) RAF1KDM4EALDH1A1LMNAGAA
SCHEMBL167871 0.74 HTR1B (0.49) HTR1BKDM4EALDH1A1LMNARXFP1
SCHEMBL13602335 0.73 PPARD (0.50)
SCHEMBL16255674 0.73 L3MBTL4 (0.50) HTR1BKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL171080 0.72 NPC1 (0.54) RAF1KDM4EALDH1A1SMN1; SMN2POLB

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 RAF1 3/4885HTR1B 946/4885KDM4E 1022/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS RAF1 2/4885HTR1B 3652/4885KDM4E 2459/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885HTR1B 3415/4885KDM4E 480/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 RAF1 47/4885HTR1B 1613/4885KDM4E 1691/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885HTR1B 3415/4885KDM4E 480/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 RAF1 125/4885HTR1B 1404/4885KDM4E 1349/4885

“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.