SCHEMBL6966902

SCHEMBL6966902

O=C(c1ccccc1)c1cc(Cl)ccc1OCC1CCCc2[nH]cnc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
TP53 P04637 1/20 0.39
PTGER1 P34995 9/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6968650 0.79 PTGER1 (0.39) PTGDR2PTGER1LMNACYP2C9
SCHEMBL6961211 0.74 METAP2 (0.43) LMNAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL11642707 0.70 PTGDR2 (0.50) PTGDR2TP53LMNAMAPTALDH1A1
SCHEMBL8398940 0.68 PTGDR2 (0.70) PTGDR2TP53LMNAMAPTSMN1; SMN2
SCHEMBL6849755 0.68 ALDH1A1 (0.40) ALDH1A1GAA
SCHEMBL7006799 0.68 AOC3 (0.37) LMNAALDH1A1
SCHEMBL27336880 0.67 PTGER1 (0.62) PTGER1CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL5627237 0.67 PTGDR2 (0.57) PTGDR2TP53LMNAMAPTCYP2C9
SCHEMBL6962434 0.67 PPARD (0.43) MAPTALDH1A1
SCHEMBL25894308 0.67 NPC1 (0.71) TP53LMNAALDH1A1SMN1; SMN2HTT

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-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US claimed
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 PTGDR2 301/4885TP53 2638/4885PTGER1 388/4885

“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.