SCHEMBL1799644

SCHEMBL1799644

Cc1[nH]c(C(=O)N2CCC=N2)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
ESR1 P03372 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK2 O96017 1/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
ABL1 P00519 2/20 0.35
FABP6 P51161 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCC4 O15439 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
SCHEMBL1800879 0.85 HPGDS (0.55) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1798163 0.83 HPGDS (0.53) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1800666 0.83 HPGDS (0.63) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1799382 0.82 HPGDS (0.52) HPGDSALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL1799369 0.82 HPGDS (0.52) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1801405 0.81 HPGDS (0.51) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1799866 0.81 HPGDS (0.61) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1802043 0.79 HPGDS (0.59) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1799020 0.79 HPGDS (0.69) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1800622 0.78 HPGDS (0.68) HPGDSALDH1A1HPGDRAB9ASMN1; SMN2

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 11 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 claimed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US claimed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US claimed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 EP claimed
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-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
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
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 368/4885HPGD 16/4885

“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.