SCHEMBL1801803

SCHEMBL1801803

CC(=O)NCCNC(=O)c1[nH]c(C)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.63
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.48
ESR1 P03372 1/20 0.48
ABL1 P00519 4/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHEK2 O96017 1/20 0.46
METAP1 P53582 1/20 0.46
FABP6 P51161 1/20 0.45
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL1801799 0.93 HPGDS (0.54) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1803217 0.91 HPGDS (0.63) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799469 0.89 HPGDS (0.65) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799832 0.88 HPGDS (0.65) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1800835 0.88 HPGDS (0.64) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1798599 0.87 HPGDS (0.61) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1802044 0.86 HPGDS (0.69) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1803458 0.86 HPGDS (0.67) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1802171 0.86 HPGDS (0.58) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801601 0.86 HPGDS (0.58) HPGDSALDH1A1HPGDPOLBRAB9A

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 368/4885HPGD 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.