SCHEMBL102047

SCHEMBL102047

NCc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.65
LOXL2 Q9Y4K0 4/20 0.62
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP14 P50281 2/20 0.41
MAOB P27338 4/20 0.41
CYP2A6 P11509 1/20 0.41
ADRB2 P07550 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
SCHEMBL4209153 0.86 ST14 (0.85) ST14LOXL2HRH3MMP2MMP9
SCHEMBL100121 0.83 LOXL2 (0.52) ST14LOXL2MAOB
SCHEMBL3171767 0.82 RAF1 (0.60)
SCHEMBL28006451 0.79 ST14 (0.74) ST14LOXL2HRH3MMP2MMP9
SCHEMBL103621 0.79 LMNA (0.61) ST14LOXL2LTA4HCYP2A6
SCHEMBL7041332 0.78 LTA4H (0.42) ST14LTA4HMMP2
SCHEMBL12806612 0.78 RAB9A (0.46) LTA4HMMP2
SCHEMBL41000 0.78
SCHEMBL8540552 0.78 LMNA (0.47) LTA4H
Hydrochloric Acid SCHEMBL4375241 0.78 ST14 (0.59) ST14LOXL2HRH3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-2900633-A1 ALPHA HYDROXY AMIDES Merck Patent GmbH (DE) 2015-08-05 EP 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-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 (4 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 ST14 2500/4885LOXL2 4354/4885HRH3 2286/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 ST14 2500/4885LOXL2 4354/4885HRH3 2286/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 ST14 2500/4885LOXL2 4354/4885HRH3 2286/4885
US-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 ST14 4128/4885LOXL2 3652/4885HRH3 32/4885

“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.