SCHEMBL4901220

SCHEMBL4901220

O=C1CSC2(CCNCC2)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
PIN1 Q13526 8/20 0.43
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
CYP2D6 P10635 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4872745 0.83 PIN1 (0.48) KMT2AMEN1ALDH1A1PIN1GSK3A
SCHEMBL30466223 0.77 PIN1 (0.71) ALDH1A1PIN1CYP2D6
SCHEMBL12673042 0.75 ALDH1A1 (0.34) ALDH1A1PIN1
SCHEMBL12627083 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL13543074 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL6618744 0.72 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL15425987 0.71 TSHR (0.51) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL7667955 0.70 POLB (0.47) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL21538549 0.68 OPRL1 (0.46) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL5935423 0.68 OPRM1 (0.64) KMT2AMEN1ALDH1A1CYP2C9TSHR

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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2008-12-11 US claimed

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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR PMP22, PYGB, GAP43 KMT2A 4687/4885MEN1 1935/4885ALDH1A1 1781/4885

“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.