SCHEMBL9940038

SCHEMBL9940038

CCCN1CCCC1C(=O)NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGES O14684 1/20 0.37
KCNK3 O14649 1/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 2/20 0.36
TP53 P04637 1/20 0.36
F2 P00734 7/20 0.35
PTGER4 P35408 2/20 0.35
AADAT Q8N5Z0 2/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL9939977 0.85 PTGES (0.38) PTGESLMNATP53ENPP2MAPT
SCHEMBL9940039 0.85 PTGES (0.38) PTGESLMNATP53ENPP2MAPT
SCHEMBL9941944 0.84 SMO (0.44) ALDH1A1SMN1; SMN2PTGESLMNATP53
SCHEMBL15033840 0.83 PTGES (0.38) PTGESLMNATP53ENPP2MAPT
SCHEMBL9939974 0.81 PTGES (0.43) PTGESENPP2
SCHEMBL9939832 0.81 SMO (0.44) SMN1; SMN2PTGESENPP2MAPT
SCHEMBL9939834 0.80 PTGES (0.38) SMN1; SMN2PTGESENPP2MAPT
SCHEMBL14238584 0.80 HPGD (0.41) ALDH1A1SMN1; SMN2PTGESLMNATP53
SCHEMBL9939771 0.80 PTGES (0.47) ALDH1A1SMN1; SMN2PTGESLMNATP53
SCHEMBL9939775 0.80 DRD2 (0.40) PTGESENPP2

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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 140/4885SMN1; SMN2 3958/4885PTGES 3/4885

“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.