SCHEMBL3054221

SCHEMBL3054221

Cc1ccc(CN(C(=O)c2ccncc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK14 Q16539 1/20 0.53
MEN1 O00255 3/20 0.52
NPC1 O15118 2/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
CNR2 P34972 1/20 0.51
RAB9A P51151 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
MMP13 P45452 1/20 0.49
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
HTT P42858 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL3052776 0.94 TSHR (0.59) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL20218944 0.90 LTB4R2 (0.62) TSHRGAAKMT2AMEN1NPC1
SCHEMBL3060251 0.90 TSHR (0.71) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL12031549 0.87 NPC1 (0.67) TSHRGAAKMT2AMEN1NPC1
SCHEMBL3053543 0.86 TSHR (0.59) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL3059878 0.85 MEN1 (0.65) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL18464136 0.84 TSHR (0.54) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL4237595 0.83 CNR2 (0.58) TSHRGAAKMT2AMEN1NPC1
SCHEMBL18464008 0.83 TSHR (0.55) TSHRGAAKMT2AKDM4EMAPK14
SCHEMBL3059551 0.82 L3MBTL1 (0.62) TSHRGAAKMT2AKDM4EMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330259-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-06 EP disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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 (1 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 TSHR 384/4885GAA 1212/4885KMT2A 1989/4885

“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.