SCHEMBL16632905

SCHEMBL16632905

CC(=O)c1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GPR35 Q9HC97 1/20 0.53
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 4/20 0.46
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.43
CYP19A1 P11511 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13199182 0.83 CA1 (0.55) ALDH1A1GPR35TDP1TSHRCYP3A4
SCHEMBL29314171 0.83 KMT2A (0.44) ALDH1A1GPR35TDP1TSHRMAPK1
SCHEMBL8099774 0.82 ALDH1A1 (0.52) ALDH1A1GPR35TDP1TSHRCYP3A4
SCHEMBL8094473 0.82 ALDH1A1 (0.52) ALDH1A1GPR35TDP1TSHRCYP3A4
SCHEMBL14892423 0.80 ALDH1A1 (0.50) ALDH1A1GPR35TDP1TSHRCYP3A4
SCHEMBL11505031 0.79 KMT2A (0.65) ALDH1A1GPR35TDP1TSHRMAPK1
SCHEMBL27484194 0.79 MEN1 (0.50) ALDH1A1GPR35TDP1TSHRCYP3A4
SCHEMBL31509456 0.78 MAPK1 (0.47) ALDH1A1GPR35TDP1TSHRMAPK1
SCHEMBL16633153 0.77 GSK3B (0.51) ALDH1A1GPR35TDP1TSHRMAPK1
SCHEMBL7591814 0.77 ALDH1A1 (0.49) ALDH1A1GPR35TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834695-B2 High efficiency rheology modifers with cationic components and use thereof HERCULES LLC (US) 2017-12-05 US claimed
US-20150105500-A1 HIGH EFFICIENCY RHEOLOGY MODIFERS WITH CATIONIC COMPONENTS AND USE THEREOF AVOCA LLC 2015-04-16 US claimed
US-9834695-B2 High efficiency rheology modifers with cationic components and use thereof HERCULES LLC (US) 2017-12-05 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-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-20150105500-A1 HIGH EFFICIENCY RHEOLOGY MODIFERS WITH CATIONIC COMPONENTS AND USE THEREOF AVOCA LLC 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 3515/4885GPR35 2682/4885TDP1 3355/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 ALDH1A1 3515/4885GPR35 2682/4885TDP1 3355/4885

“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.