SCHEMBL4258545

SCHEMBL4258545

NN=Cc1cc(Br)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.59
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 6/20 0.58
GAA P10253 4/20 0.58
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
ERN1 O75460 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
CASP7 P55210 2/20 0.53
MAPT P10636 7/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
PKM P14618 2/20 0.50
RBM39 Q14498 1/20 0.49
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL6448836 0.82 CASP1 (0.61) CASP1KMT2AKDM4EGAACA12
SCHEMBL6448832 0.82 CASP1 (0.61) CASP1KMT2AKDM4EGAACA12
SCHEMBL6822831 0.82 CASP1 (0.61) CASP1KMT2AKDM4EGAACA12
SCHEMBL30640070 0.82 CASP1 (0.61) CASP1KMT2AKDM4EGAACA12
SCHEMBL18372473 0.79 AMY1A (0.53) KMT2AKDM4EGAAMAPTPOLB
SCHEMBL2320609 0.79 AMY1A (0.53) KMT2AKDM4EGAAMAPTPOLB
SCHEMBL4346769 0.78 CASP1 (0.62) CASP1KMT2AKDM4EGAACA12
SCHEMBL4346774 0.78 CASP1 (0.62) CASP1KMT2AKDM4EGAACA12
Ammonia Solution, Strong SCHEMBL10609635 0.77 CASP1 (0.60) CASP1KMT2AKDM4EGAACA12
SCHEMBL30495458 0.77 KMT2A (0.69) CASP1KMT2AKDM4EGAAERN1

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
WO-2006113236-A2 NOVEL CHEMICAL INHIBITORS OF NEUTROPHIL ACTIVATION THROUGH THE SAC-DEPENDENT PATHWAY CORNELL RESEARCH FOUNDATION, INC. (US) 2006-10-26 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 (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 CASP1 479/4885KMT2A 4656/4885KDM4E 4215/4885

“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.