SCHEMBL7199016

SCHEMBL7199016

CCCNC(=S)NCCC1=COc2ccccc2O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
KMT2A Q03164 2/20 0.44
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.40
ALOX12 P18054 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7203724 0.86 MTNR1A (0.72) MTNR1AKMT2ARAB9ANPC1MAPT
SCHEMBL7203743 0.78 MTNR1A (1.00) MTNR1AKMT2ALMNAHTTSCN1A
SCHEMBL7204668 0.71 MTNR1A (0.67) MTNR1AKMT2AMEN1CYP2C19
SCHEMBL17002620 0.71 MTNR1A (0.53) MTNR1AKMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL5349885 0.70 MTNR1A (0.51) MTNR1ARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7854658 0.68 RAB9A (0.49) MTNR1AKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL7198607 0.67 MTNR1A (0.53) MTNR1AALOX12SCN1ASCN2ASCN3A
SCHEMBL6555327 0.67 MTNR1A (0.57) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7203987 0.67 MTNR1A (0.53) MTNR1ASMN1; SMN2SCN1ASCN2ASCN3A
SCHEMBL7204577 0.66 MTNR1A (0.51) MTNR1ASCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885KMT2A 936/4885RAB9A 2100/4885

“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.