SCHEMBL9940041

SCHEMBL9940041

O=S(=O)(NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1)c1ccoc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CHEK2 O96017 1/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
GUSB P08236 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
IDH2 P48735 1/20 0.32
HSP90AA1 P07900 3/20 0.31
CSF1R P07333 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL9939777 0.85 LMNA (0.35) KDM1AMAPTALDH1A1KMT2ACHEK2
SCHEMBL9940040 0.82 ENPP2 (0.36) KDM1AMAPTALDH1A1KMT2ACNR1
SCHEMBL9899450 0.78 MAP2K7 (0.41) MAPTCNR1GAACSF1R
SCHEMBL9939974 0.77 PTGES (0.43) CNR1
SCHEMBL9939815 0.76 KDM1A (0.41) KDM1AMAPTKMT2AGAALMNA
SCHEMBL9939773 0.75 AKT2 (0.42) KMT2ACNR1MEN1LMNA
SCHEMBL9941944 0.74 SMO (0.44) MAPTALDH1A1KMT2ACNR1MEN1
SCHEMBL9939775 0.74 DRD2 (0.40) CNR1
SCHEMBL9939865 0.74 CNR1 (0.36) MAPTALDH1A1KMT2ACNR1MEN1
SCHEMBL14238211 0.74 CNR1 (0.36) KMT2ACNR1MEN1LMNACSF1R

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 KDM1A 1469/4885MAPT 4308/4885ALDH1A1 140/4885

“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.