SCHEMBL4771728

SCHEMBL4771728

Cc1nnc(CCC(N)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
F2 P00734 1/20 0.40
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.35
GLS O94925 2/20 0.33

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
SCHEMBL21576229 0.78 TSHR (0.44) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL20631846 0.78 HSD17B10 (0.48) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL12263499 0.77 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1POLBGAA
SCHEMBL11377836 0.76 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1HRH2HRH1
SCHEMBL12752491 0.74 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1HRH2HRH1
SCHEMBL11119776 0.73 CA2 (0.45) SMN1; SMN2TDP1
SCHEMBL10042080 0.72
Hydrochloric Acid SCHEMBL17080199 0.71 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1HRH2HRH1
SCHEMBL24259191 0.70 GLS (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL4664005 0.70 SMYD3 (0.40) SMN1; SMN2RAB9ANPC1GAAPKM

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
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 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-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 SMN1; SMN2 3495/4885RAB9A 128/4885NPC1 1140/4885

“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.