SCHEMBL1799757

SCHEMBL1799757

Cc1c[nH]c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
POLB P06746 2/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ESR1 P03372 1/20 0.61
HPGDS O60760 2/20 0.58
CHEK2 O96017 5/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ABL1 P00519 2/20 0.55
FABP6 P51161 1/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
METAP1 P53582 1/20 0.55
ABCC4 O15439 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL1799754 0.91 ESR1 (0.49) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1800667 0.81 HPGDS (0.74) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1798295 0.81 ALDH1A1 (0.60) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1800992 0.79 HPGDS (0.66) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799868 0.79 HPGDS (0.72) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1801544 0.79 HPGDS (0.63) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1798912 0.79 ALDH1A1 (0.64) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL2243148 0.79 CHEK2 (0.80) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1802044 0.77 HPGDS (0.69) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799022 0.77 HPGDS (0.82) ALDH1A1HPGDPOLBRAB9ASMN1; 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 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 ALDH1A1 368/4885HPGD 16/4885POLB 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.