SCHEMBL20161578

SCHEMBL20161578

CNc1ncn(CC(=O)Nc2cc(C)nc3ccccc23)c1C(=O)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ GALR3 O60755 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ GUSB P08236 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ YTHDC1 Q96MU7 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GLA P06280 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL20161984 0.83 MEN1 (0.52) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL12605662 0.73 HTT (0.61) HTTSMN1; SMN2GALR3RAB9AOPRK1
SCHEMBL14754389 0.71 CYP1A2 (0.70) SMN1; SMN2KMT2AALDH1A1POLBKDM4E
SCHEMBL5053541 0.71 HTT (0.73) HTTSMN1; SMN2GALR3RAB9AOPRK1
SCHEMBL20079722 0.71 YTHDC1 (0.45) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15075719 0.70 SMN1; SMN2 (0.50) HTTSMN1; SMN2GALR3RAB9AOPRK1
SCHEMBL8402836 0.70 HTT (0.75) HTTSMN1; SMN2GALR3RAB9AOPRK1
SCHEMBL19036473 0.69 YTHDC1 (0.44) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4872495 0.69 HTT (0.73) HTTSMN1; SMN2GALR3RAB9AOPRK1
SCHEMBL19308467 0.69 HTT (0.73) HTTSMN1; SMN2GALR3RAB9AOPRK1

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HTT 160/4885SMN1; SMN2 129/4885GALR3 341/4885

“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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