SCHEMBL6167596

SCHEMBL6167596

CC(C)(C)c1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
KIF11 P52732 3/20 0.44
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
MEN1 O00255 1/20 0.38
NR2F2 P24468 1/20 0.38
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 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
SCHEMBL13078874 0.83 METAP2 (0.32) NPC1RAB9A
SCHEMBL5612882 0.81 KIF11 (0.45) KIF11NISCHNOTUM
SCHEMBL20848 0.78 KMT2A (0.44) NPC1RAB9AKDM4ENISCHKMT2A
SCHEMBL16788779 0.77 ESR1 (0.41) HSP90AA1HSP90AB1TP53
Ammonia Solution, Strong SCHEMBL2774225 0.76 KMT2A (0.42) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL11053118 0.76 KMT2A (0.42) NPC1RAB9AKDM4ENISCHKMT2A
SCHEMBL2917205 0.76 KMT2A (0.42) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL9356285 0.76 KMT2A (0.42) NPC1RAB9AKDM4ENISCHKMT2A
SCHEMBL7113048 0.76 KMT2A (0.42) NPC1RAB9AKDM4ENISCHKMT2A
Water SCHEMBL28683814 0.76 KMT2A (0.42) NPC1RAB9AKDM4ENISCHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-06-20 US disclosed
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-20210251942-A1 2-NAPHTHIMIDAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME UNIV COLORADO REGENTS (US) 2021-08-19 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 US disclosed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO 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 (6 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP XDH 2016/4885KIF11 4477/4885NPC1 3027/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP XDH 1956/4885KIF11 4522/4885NPC1 3179/4885
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same TMPRSS2, TMPRSS4, TMPRSS15 XDH 972/4885KIF11 4838/4885NPC1 810/4885
US-20210251942-A1 2-NAPHTHIMIDAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME TMPRSS2, TMPRSS4, TMPRSS15 XDH 972/4885KIF11 4838/4885NPC1 810/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT XDH 497/4885KIF11 4723/4885NPC1 166/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT XDH 497/4885KIF11 4723/4885NPC1 166/4885

“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.