SCHEMBL1799658

SCHEMBL1799658

Cc1[nH]c(C(=O)N2CCC(C(=O)NC(C)N(C)C)CC2)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CAPN1 P07384 4/20 0.35
CTSB P07858 1/20 0.35
FASN P49327 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATR Q13535 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK2 O96017 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1799661 0.87 HPGDS (0.48) HPGDSPOLBMEN1KMT2ALMNA
SCHEMBL1801405 0.87 HPGDS (0.51) HPGDSALDH1A1POLBFASNMEN1
SCHEMBL1798299 0.85 HPGDS (0.47) HPGDSMEN1KMT2ARAB9ALMNA
SCHEMBL1799369 0.84 HPGDS (0.52) HPGDSALDH1A1POLBFASNMEN1
SCHEMBL1797249 0.84 HPGDS (0.49) HPGDSALDH1A1POLBFASNMEN1
SCHEMBL1801708 0.83 HPGDS (0.44) HPGDSALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1801603 0.83 HPGDS (0.50) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL1800879 0.82 HPGDS (0.55) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL1800604 0.82 HPGDS (0.46) HPGDSALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL1799662 0.81 HPGDS (0.56) HPGDSALDH1A1POLBSMN1; SMN2HPGD

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-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 EP 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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES HPGDS 5/4885ALDH1A1 368/4885POLB 991/4885

“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.