SCHEMBL3781095

SCHEMBL3781095

c1csc(SCCCN2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 4/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 2/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.38
CXCR4 P61073 2/20 0.37
SLC6A4 P31645 1/20 0.35

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
SCHEMBL9346869 0.75 ALDH1A1 (0.60) CYP1A2CYP2D6DRD3DRD2SIGMAR1
SCHEMBL9142984 0.75 MEN1 (0.45) CYP1A2SIGMAR1KDM4ENPC1RAB9A
SCHEMBL28992933 0.75 HTR1A (0.60) DRD3DRD2ALDH1A1KDM4ELMNA
SCHEMBL5232155 0.74 SIGMAR1 (0.57) SIGMAR1ALDH1A1KDM1ACHRM2CHRM4
SCHEMBL9143353 0.73 HTT (0.53) SIGMAR1ALDH1A1KDM4ELMNARAB9A
SCHEMBL9378269 0.73 SIGMAR1 (0.51) SIGMAR1KDM1ACHRM2CHRM4CHRM5
SCHEMBL21896503 0.71 KDM4E (0.67) CYP1A2CYP2D6DRD3DRD2SIGMAR1
SCHEMBL9210482 0.71 ALDH1A1 (0.45) CYP1A2CYP2D6DRD3SIGMAR1ALDH1A1
SCHEMBL29289301 0.71 SIGMAR1 (0.49) SIGMAR1KDM1ACHRM2CHRM4CHRM5
SCHEMBL593083 0.70 HRH3 (0.48) DRD3SIGMAR1ALDH1A1KDM1AHRH3

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B CYP1A2 616/4885CYP2D6 551/4885DRD3 3275/4885

“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.