SCHEMBL13745514

SCHEMBL13745514

Cc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 2/20 0.67
MAPK1 P28482 1/20 0.67
PIK3CG P48736 1/20 0.60
KDM4E B2RXH2 6/20 0.59
HTT P42858 5/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LIG1 P18858 2/20 0.58
LIG3 P49916 1/20 0.58
POLB P06746 4/20 0.57
RBM39 Q14498 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL12648542 0.82 CFTR (0.72) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL18378408 0.82 CFTR (0.72) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL14082227 0.81 CFTR (0.64) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL684944 0.79 ASF1A (0.74) MAPTKMT2AMEN1PIK3CGKDM4E
SCHEMBL13401806 0.79 CFTR (0.59) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL14042405 0.77 KDM4E (0.70) MAPTKMT2AMEN1MAPK1PIK3CG
SCHEMBL14082242 0.77 POLB (0.71) MAPTKMT2AMEN1MAPK1PIK3CG
SCHEMBL31393968 0.76 KMT2A (0.74) MAPTKMT2AMEN1MAPK1PIK3CG
SCHEMBL22786752 0.75 KMT2A (0.74) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL17438105 0.75 KMT2A (0.77) MAPTKMT2AMEN1MAPK1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771331-B2 Methods of identifying neuroprotective compounds for retinal ganglion cells THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 US disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 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-20090215765-A1 Neuroprotective compounds for treating optic neuropathies NLN, GAP43, AIFM1 MAPT 561/4885KMT2A 4656/4885MEN1 3432/4885

“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.