SCHEMBL9939771

SCHEMBL9939771

O=C(NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.47
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.37
SMO Q99835 1/20 0.37
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROS1 P08922 3/20 0.37
ALK Q9UM73 3/20 0.37
ENPP2 Q13822 2/20 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
SCHEMBL9941944 0.90 SMO (0.44) PTGESTP53MAPTLMNASMO
SCHEMBL9940039 0.83 PTGES (0.38) PTGESTP53MAPTLMNAENPP2
SCHEMBL9939977 0.83 PTGES (0.38) PTGESTP53MAPTLMNAENPP2
SCHEMBL9939831 0.83 PTGES (0.41) PTGESENPP2
SCHEMBL9939974 0.82 PTGES (0.43) PTGESSMOENPP2
SCHEMBL15033840 0.81 PTGES (0.38) PTGESTP53MAPTLMNAENPP2
SCHEMBL14238584 0.81 HPGD (0.41) PTGESTP53MAPTLMNAUSP2
SCHEMBL9940038 0.80 ALDH1A1 (0.40) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL9939834 0.80 PTGES (0.38) PTGESMAPTMAPK1HTTSMN1; SMN2
SCHEMBL9939776 0.80 PTGES (0.38) PTGESSMOENPP2

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 PTGES 3/4885TP53 3792/4885MAPT 4308/4885

“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.