SCHEMBL803484

SCHEMBL803484

CC(C)(C)c1ccnc(C(=O)N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HTT P42858 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HPGD P15428 7/20 0.45
▸ YEATS4 O95619 1/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GNE Q9Y223 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL11916039 0.87 HPGD (0.56) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL3186273 0.87 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL15621622 0.80 PDE10A (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30957394 0.78 NPC1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11347539 0.77 RAF1 (0.44) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3432861 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3183579 0.76 NPC1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15243007 0.76 L3MBTL1 (0.49) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL883721 0.76 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL805504 0.76 SMYD3 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SMN1; SMN2 2971/4885HTT 2709/4885ALDH1A1 1267/4885

“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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