SCHEMBL8010085

SCHEMBL8010085

Cc1cc(C#N)cc(C)c1C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.50
TTR P02766 2/20 0.35
ALB P02768 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 4/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
FFAR1 O14842 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
PTPN1 P18031 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1770114 0.78 GSK3B (0.48) GSK3BMEN1KMT2AGAAALDH1A1
SCHEMBL18006899 0.78 GSK3B (0.50) GSK3BTTRALBMEN1KMT2A
SCHEMBL3125875 0.76 TTR (0.40) TTRALBMEN1KMT2AGPR35
SCHEMBL3758179 0.76 CYP3A4 (0.45) TTRALBMEN1KMT2AGPR35
SCHEMBL14992457 0.76 CYP3A4 (0.50) GSK3BMEN1KMT2AALDH1A1NPSR1
SCHEMBL19707542 0.75 GSK3B (0.58) GSK3BTTRALBMEN1KMT2A
SCHEMBL14992135 0.75 GSK3B (0.41) GSK3BMEN1KMT2AGAAALDH1A1
SCHEMBL21937817 0.75 POLB (0.44) TTRALBMEN1KMT2AGPR35
SCHEMBL2380078 0.75 GSK3B (0.45) GSK3BMEN1KMT2AALDH1A1PTPN1
SCHEMBL22408297 0.74 LMNA (0.47) GSK3BMEN1KMT2AGPR35ALDH1A1

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 6 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
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 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 GSK3B 2388/4885TTR 4834/4885ALB 4063/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 GSK3B 2388/4885TTR 4834/4885ALB 4063/4885

“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.