SCHEMBL3058477

SCHEMBL3058477

O=C(c1ccncc1)N(Cc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
ACHE P22303 1/20 0.52
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGES O14684 4/20 0.46
ALOX5 P09917 4/20 0.46
RAB9A P51151 2/20 0.46
LTC4S Q16873 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
PDK1 Q15118 2/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL3060251 0.86 TSHR (0.71) TSHRGAAACHEMAPTKMT2A
SCHEMBL3057341 0.85 TSHR (0.59) TSHRGAAACHEKMT2ANPC1
SCHEMBL3053543 0.85 TSHR (0.59) TSHRGAAACHEKMT2ANPC1
SCHEMBL3065531 0.84 TSHR (0.54) TSHRGAAACHEKMT2ANPC1
SCHEMBL3044606 0.81 KMT2A (0.65) TSHRGAAACHEKMT2ANPC1
SCHEMBL3050032 0.81 NOS3 (0.55) TSHRGAARAB9APDK1
SCHEMBL3061617 0.79 MAPK14 (0.50) TSHRGAAACHEKMT2ANPC1
SCHEMBL3067512 0.79 TSHR (0.47) TSHRGAAACHEKMT2ANPC1
SCHEMBL1336106 0.78 BCL2A1 (0.50) TSHRGAAMAPTKMT2ANPC1
SCHEMBL23784723 0.78 NPC1 (0.67) TSHRGAAMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1212/4885ACHE 857/4885

“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.