SCHEMBL3175258

SCHEMBL3175258

NCCCCn1c(-c2ccccc2)cc2ccc(C(=O)c3cc(CC(=O)NO)c(-c4ccncc4)s3)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.37
NTRK3 Q16288 3/20 0.36
MAPK14 Q16539 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ACLY P53396 1/20 0.32
ITK Q08881 1/20 0.31

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
SCHEMBL15117543 0.95 KMT2A (0.36) NTRK1NTRK3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL3063391 0.94 MTNR1A (0.36) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL15117536 0.94 MTNR1A (0.36) NTRK1NTRK3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL3049509 0.94 MTNR1A (0.35) NTRK1NTRK3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL3049516 0.94 MTNR1A (0.35) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL3173603 0.92 NTRK1 (0.37) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL3171894 0.92 NTRK1 (0.34) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL3175818 0.92 MTNR1A (0.34) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL15117702 0.91 NTRK1 (0.36) NTRK1NTRK3JAK2JAK1TYK2
SCHEMBL3174171 0.91 TP53 (0.36) NTRK1JAK2JAK1TYK2JAK3

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-8492428-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-07-23 US claimed
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 NTRK1 449/4885NTRK3 1021/4885MAPK14 1790/4885

“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.