SCHEMBL16632679

SCHEMBL16632679

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
HSD17B10 Q99714 3/20 0.50
GFER P55789 3/20 0.50
NOS1 P29475 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NR4A1 P22736 1/20 0.47
BLM P54132 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PLAU P00749 1/20 0.42
GAA P10253 1/20 0.42
LTA4H P09960 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2381398 0.90 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
Bromide SCHEMBL7902851 0.88 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL2382422 0.88 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL14992311 0.86 LTA4H (0.50) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL21484923 0.85 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL2380984 0.84 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL23364762 0.83 MPL (0.53) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL2382374 0.83 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL2381528 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10
SCHEMBL12248820 0.83 LTA4H (0.44) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B10

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 12 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-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-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-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-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-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-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
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
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 4133/4885SMN1; SMN2 3187/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 ALDH1A1 3515/4885MAPT 4133/4885SMN1; SMN2 3187/4885

“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.