SCHEMBL3784355

SCHEMBL3784355

C1=C(C(Cc2ccccc2)CN2CCNCC2)OCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 3/20 0.40
LTA4H P09960 1/20 0.35
RAD52 P43351 1/20 0.35
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
CXCR4 P61073 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR6 P50406 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL5774496 0.81 TSHR (0.41) LMNAALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL1299631 0.81 SIGMAR1 (0.52) SIGMAR1SLC6A4SLC6A2SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL1299136 0.81 SIGMAR1 (0.51) SIGMAR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL5656404 0.80 NPC1 (0.43) LTA4HMEN1TSHRKMT2A
SCHEMBL8499574 0.79 PRMT5 (0.48) LMNA
SCHEMBL592971 0.79 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL5750199 0.79 GRIN2D (0.40) LMNAALDH1A1TSHR
SCHEMBL5750674 0.78 LTA4H (0.41) LTA4H
SCHEMBL4391732 0.76 ALDH1A1 (0.51) LTA4HMEN1ALDH1A1TSHRCYP2C19
SCHEMBL3748652 0.75 TRPA1 (0.40)

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 SIGMAR1 3099/4885SLC6A4 3191/4885SLC6A2 3509/4885

“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.