SCHEMBL16632821

SCHEMBL16632821

CC(=O)Nc1cc(C)c(C(=O)CCl)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TP53 P04637 1/20 0.54
HIF1A Q16665 1/20 0.54
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
POLB P06746 3/20 0.38
NR4A1 P22736 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL2381692 0.82 LMNA (0.46) ALDH1A1TP53HIF1ALMNAMEN1
SCHEMBL12301466 0.82 LMNA (0.46) ALDH1A1TP53HIF1ALMNAMEN1
SCHEMBL2382559 0.79 LMNA (0.54) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL31661220 0.78 ALDH1A1 (0.63) ALDH1A1TP53HIF1ALMNAMEN1
SCHEMBL9064055 0.77 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL3030037 0.76 LMNA (0.60) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL2382286 0.75 SMN1; SMN2 (0.49) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL10890401 0.75 LMNA (0.54) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL8101683 0.72 GSK3B (0.42) ALDH1A1HIF1ALMNAKMT2ASMN1; SMN2
SCHEMBL2552398 0.72 LMNA (0.61) ALDH1A1LMNAMEN1KMT2ATDP1

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 9 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-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

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 3515/4885TP53 919/4885HIF1A 892/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 ALDH1A1 3515/4885TP53 919/4885HIF1A 892/4885

“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.