SCHEMBL100121

SCHEMBL100121

NCc1cccc(Oc2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.52
ST14 Q9Y5Y6 1/20 0.50
LOX P28300 2/20 0.49
TRPV6 Q9H1D0 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PNMT P11086 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
SCHEMBL4949955 0.87 ST14 (0.58) LOXL2ST14LOXMAOBNOS1
SCHEMBL6204785 0.86 TAAR1 (0.57) LOXL2TRPV6MAOBMEN1MITF
SCHEMBL1301847 0.85 LOXL2 (0.58) LOXL2ST14LOXTDP1MAOB
Hydrochloric Acid SCHEMBL919885 0.83 LOXL2 (0.57) LOXL2ST14LOXTDP1MAOB
SCHEMBL103152 0.83 LMNA (0.68) LOXL2ST14LOXTRPV6LMNA
SCHEMBL102047 0.83 ST14 (0.65) LOXL2ST14MAOB
SCHEMBL16301337 0.82 ALDH1A1 (0.45) TRPV6LMNATDP1ALDH1A1SMN1; SMN2
Hydrazine SCHEMBL15923213 0.81 LOXL2 (0.54) LOXL2ST14LOXTDP1MAOB
SCHEMBL21481993 0.81 LOXL2 (0.50) LOXL2ST14LOXMAOBNOS1
SCHEMBL12167626 0.80 ALDH1A1 (0.68) LOXL2ST14TDP1MAOBMEN1

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-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
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-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20060199844-A1 Methylene urea derivatives MERCK PATENT GMBH (DE) 2006-09-07 US disclosed
EP-1562905-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004037789-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-05-06 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 (3 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 LOXL2 4354/4885ST14 2500/4885LOX 3380/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 LOXL2 4354/4885ST14 2500/4885LOX 3380/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 LOXL2 4354/4885ST14 2500/4885LOX 3380/4885

“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.