SCHEMBL20878669

SCHEMBL20878669

CC(=O)NCCNc1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CYP3A4 P08684 6/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ ALOX15 P16050 4/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL10826205 0.82 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1SMN1; SMN2GLA
SCHEMBL22174752 0.80 BCHE (0.46) CA12CA9ALOX5APFEN1
SCHEMBL29403604 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2GLACYP3A4HSD17B10
SCHEMBL2081651 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2GLACYP3A4HSD17B10
SCHEMBL20929322 0.78 MAPT (0.42) HSD17B10KDM4ENAMPTGABRPGABRD
SCHEMBL5694416 0.78 MAOA (0.43) ALDH1A1SMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL18779716 0.76 KCNH3 (0.40) ALDH1A1SMN1; SMN2KDM4ENAMPTCA12
SCHEMBL8535693 0.76 KDM4E (0.59) MTNR1AMTNR1BALDH1A1SMN1; SMN2GLA
SCHEMBL171693 0.76 MAPT (0.65) MTNR1AMTNR1BALDH1A1SMN1; SMN2GLA
Sulfuric Acid SCHEMBL11083725 0.76 PKM (0.47) MTNR1AMTNR1BALDH1A1SMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators NOVARTIS AG (CH) 2019-04-09 — — 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 (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-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators WNT1, CTNNB1, CTNNA1 MTNR1A 333/4885MTNR1B 658/4885ALDH1A1 232/4885

“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.

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