SCHEMBL16632485

SCHEMBL16632485

Cc1cc(C#N)cc(C)c1-c1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GFER P55789 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PLAU P00749 1/20 0.37
▸ LTA4H P09960 1/20 0.36

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
SCHEMBL16632679 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL2381398 0.80 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10GFERNPC1
Bromide SCHEMBL7902851 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL2382422 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL14992311 0.77 LTA4H (0.50) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL21484923 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL23364762 0.75 MPL (0.53) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL12248820 0.75 LTA4H (0.44) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL2381528 0.75 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10GFERNPC1
SCHEMBL2382374 0.75 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10GFERNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670197-B2 Small molecule modifiers of the Hec1-Nek2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 — — US disclosed
US-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-03 — — US disclosed
US-9422275-B2 Small molecule modifiers of the HEC1-NEK2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-23 — — US disclosed
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-16 — — 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 (2 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-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 ALDH1A1 3515/4885MAPT 4133/4885HSD17B10 2175/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 ALDH1A1 3515/4885MAPT 4133/4885HSD17B10 2175/4885

“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.

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