SCHEMBL16632865

SCHEMBL16632865

Cc1cc(NC(=O)O)cc(C)c1-c1csc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.45
ALDH1A1 P00352 8/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
CLK1 P49759 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KDM4B O94953 2/20 0.41
KDM5C P41229 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2380472 0.90 PIK3CG (0.53) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL16640661 0.83 SREBF2 (0.41) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL16632679 0.78 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14992311 0.77 LTA4H (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2381398 0.77 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL7902851 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2382422 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12248820 0.74 LTA4H (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16633138 0.74 PARP1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL2381037 0.72 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 PIK3CG 3568/4885ALDH1A1 3515/4885MAPT 4133/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 PIK3CG 3568/4885ALDH1A1 3515/4885MAPT 4133/4885

“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.