SCHEMBL1759807

SCHEMBL1759807

NC(CO)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
NPC1 O15118 4/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
NLRP3 Q96P20 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NLRP1 Q9C000 1/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL1307450 0.82 ADRB2 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL393010 0.82 ADRB2 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1308806 0.82 ADRB2 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1439138 0.80 ADRB2 (0.48) MEN1KMT2ARAB9ALMNAADORA3
Hydrochloric Acid SCHEMBL1439141 0.80 ADRB2 (0.48) MEN1KMT2ARAB9ALMNAADORA3
Hydrochloric Acid SCHEMBL3652140 0.80 ADRB2 (0.48) MEN1KMT2ARAB9ALMNAADORA3
SCHEMBL4553811 0.80 ANPEP (0.41) CA1CA2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11048619 0.78 MEN1 (0.76) CNR1MEN1KMT2ACA12CA1
SCHEMBL4741253 0.78 MEN1 (0.76) CNR1MEN1KMT2ACA12CA1
SCHEMBL4111411 0.78 MEN1 (0.67) CNR1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
CN-102686572-A Oxazoline derivatives for treatment of CNS disorders HOFFMANN LA ROCHE 2012-09-19 CN disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (1 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R CNR1 32/4885MEN1 1598/4885KMT2A 2453/4885

“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.