SCHEMBL13778630

SCHEMBL13778630

CCC(N=[N+]=[N-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.37
▸ SLC6A4 P31645 9/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ SLC6A3 Q01959 8/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ AHR P35869 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 4/20 0.34

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
SCHEMBL13778645 1.00 SLC6A2 (0.37) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL14373872 1.00 SLC6A2 (0.37) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL28396816 0.80 ADRB2 (0.38) SLC6A2SLC6A4LMNAHTTPDE2A
SCHEMBL14400704 0.79 SLC6A2 (0.39) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL21594432 0.79 PDE2A (0.50) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL14047123 0.79 SLC6A2 (0.39) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL13778747 0.79 SLC6A2 (0.39) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL14373887 0.76 PDE2A (0.37) PDE2A
SCHEMBL14383040 0.75 MIF (0.57) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL13778638 0.72 KMT2A (0.46) SLC6A2SLC6A4ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS VAN LOMMEN GUY ROSALIA EUGEEN 2009-07-30 — — US disclosed
US-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS VAN LOMMEN GUY ROSALIA EUGEEN 2009-07-30 — — US disclosed
US-7511068-B2 Mercaptoimidazoles as CCR2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-31 — — US disclosed
US-7511068-B2 Mercaptoimidazoles as CCR2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-31 — — 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 (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-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR1, CXCR3 SLC6A2 1293/4885SLC6A4 1250/4885ALDH1A1 914/4885

“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.

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