SCHEMBL6183830

SCHEMBL6183830

Cc1nc(Cc2ccccc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 4/20 0.46
OPRM1 P35372 1/20 0.45
GAA P10253 2/20 0.44
KLKB1 P03952 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 2/20 0.41
COMT P21964 1/20 0.41
MEN1 O00255 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
CALM1 P0DP23 1/20 0.41

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
SCHEMBL4825857 0.81 ALDH1A1 (0.45) SLC6A3ALDH1A1SMN1; SMN2POLB
SCHEMBL27978170 0.80 MEN1 (0.52) SLC6A3ALDH1A1OPRM1GAASMN1; SMN2
SCHEMBL20894092 0.78 SMN1; SMN2 (0.69) ALDH1A1GAAKLKB1SMN1; SMN2POLB
SCHEMBL27658982 0.76 PTGDR2 (0.45) ALDH1A1GAAKLKB1SMN1; SMN2PTGDR2
SCHEMBL13801069 0.75 ALDH1A1 (0.52) ALDH1A1POLBPTGDR2MEN1KMT2A
SCHEMBL4834573 0.75 RAB9A (0.51) ALDH1A1GAASMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL27687372 0.75 PTGDR2 (0.44) ALDH1A1GAAKLKB1SMN1; SMN2PTGDR2
SCHEMBL4032013 0.75 KLKB1 (0.56) ALDH1A1GAAKLKB1SMN1; SMN2MAPT
SCHEMBL14364229 0.75 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2PTGDR2MAPT
SCHEMBL427731 0.74 SMN1; SMN2 (0.59) ALDH1A1GAASMN1; SMN2MAPTCOMT

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
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
EP-0804437-B1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 2005-09-14 EP disclosed
US-5939415-A A!-annellated pyrrole derivatives and their use in pharmacology MERCKLE GMBH (DE) 1999-08-17 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 SLC6A3 4077/4885ALDH1A1 3565/4885OPRM1 4719/4885

“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.