SCHEMBL17368397

SCHEMBL17368397

CC(C)[S+]([O-])c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL4685300 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL4685296 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL2947883 0.76
SCHEMBL261678 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TAAR1NISCH
SCHEMBL9013456 0.71 TAAR1 (0.33) TAAR1NISCH
SCHEMBL3193203 0.71
SCHEMBL22024413 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NISCH
SCHEMBL12854154 0.71
SCHEMBL17007042 0.69 SLC6A2 (0.35) ALDH1A1
SCHEMBL4685982 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 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 (3 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-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB ALDH1A1 3311/4885SMN1; SMN2 3567/4885TXN 1946/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 ALDH1A1 2409/4885SMN1; SMN2 1226/4885TXN 1238/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB ALDH1A1 3311/4885SMN1; SMN2 3567/4885TXN 1946/4885

“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.