SCHEMBL1174549

SCHEMBL1174549

O=Cc1cccc(-c2nnco2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.58
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TLR8 Q9NR97 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
SCHEMBL21795694 0.82 NOTUM (0.75) NOTUMPOLBGAAALDH1A1HPGD
SCHEMBL24819014 0.81 NOTUM (0.52) NOTUMBRD4MAPK1
SCHEMBL10414600 0.79 NOTUM (0.50) NOTUMGAAALDH1A1KDM4ELMNA
SCHEMBL10414602 0.79 NOTUM (0.50) NOTUMGAAALDH1A1KDM4ELMNA
SCHEMBL3800731 0.79 ALDH1A1 (0.54) NOTUMPOLBGAAALDH1A1HPGD
SCHEMBL6851980 0.79 NOTUM (0.58) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL11232897 0.75 NOTUM (0.74) NOTUMPOLBGAAALDH1A1HPGD
SCHEMBL21776860 0.74 NOTUM (1.00) NOTUMGAAALDH1A1HPGDMAPK1
SCHEMBL942003 0.74 NOTUM (0.64) NOTUMPOLBGAAALDH1A1HPGD
SCHEMBL23451501 0.74 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1KDM4E

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
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-03 US disclosed
EP-2262782-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 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-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES CD47, BRD4, BRD3 NOTUM 4042/4885POLB 2001/4885GAA 3521/4885

“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.