SCHEMBL3058707

SCHEMBL3058707

NNC(=O)Cc1cc(C(=O)c2ccc(I)c(N)c2)sc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TP53 P04637 2/20 0.34
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 5/20 0.33
RXFP1 Q9HBX9 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM6 O15303 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3042819 0.92 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3058700 0.82 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3053709 0.76 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3057661 0.73 KMT2A (0.58) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL15117478 0.72 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3060581 0.72 KMT2A (0.49) MAPTKMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL3053526 0.72 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5113516 0.71 MEN1 (0.44) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL16893446 0.71 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3057852 0.70 ALDH1A1 (0.36) MAPTKMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492428-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-07-23 US disclosed
US-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-10-14 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-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, RAC2, BTN3A1 MAPT 638/4885KMT2A 3518/4885MEN1 3207/4885

“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.