SCHEMBL3054110

SCHEMBL3054110

O=C(c1ccnc2ccccc12)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 15/20 0.56
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
NSD2 O96028 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3056327 0.78 PDK1 (0.55) PDK1GAATSHRNPC1ALDH1A1
SCHEMBL19411231 0.77 ACVR1 (0.43) GAATSHRALDH1A1GLASMN1; SMN2
SCHEMBL3061506 0.77 RAB9A (0.55) PDK1GAATSHRNPC1ALDH1A1
SCHEMBL3058847 0.76 PDK1 (0.50) PDK1GAATSHRNPC1ALDH1A1
SCHEMBL2404534 0.75 NR2E1 (0.41) GAANSD2NPC1ALDH1A1RAB9A
SCHEMBL1927016 0.75 ALDH1A1 (0.69) PDK1GAATSHRNPC1ALDH1A1
SCHEMBL8568156 0.74 PREP (0.47) GAATSHRNSD2ALDH1A1GLA
SCHEMBL28859700 0.74 HDAC3 (0.43) NSD2NPC1RAB9ASMN1; SMN2
SCHEMBL17927686 0.74 RAB9A (0.54) GAANSD2NPC1RAB9ASMN1; SMN2
Biphenyl SCHEMBL27669531 0.74 NSD2 (0.44) PDK1NSD2

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 3 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
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 PDK1 2335/4885GAA 1212/4885TSHR 384/4885

“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.