SCHEMBL1801036

SCHEMBL1801036

Cc1[nH]c(C(=O)NCC2CCCCC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
TXN P10599 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ESR1 P03372 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRSS12 P56730 1/20 0.43
PKM P14618 1/20 0.43
CHEK2 O96017 2/20 0.43
METAP1 P53582 1/20 0.42

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
SCHEMBL1801033 0.93 HPGDS (0.50) HPGDSTXNALDH1A1HPGDPOLB
SCHEMBL1801711 0.86 HPGDS (0.51) HPGDSTXNALDH1A1HPGDPOLB
SCHEMBL1799469 0.85 HPGDS (0.65) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801862 0.83 HPGDS (0.57) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801803 0.83 HPGDS (0.63) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1803217 0.83 HPGDS (0.63) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1802044 0.83 HPGDS (0.69) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1803458 0.82 HPGDS (0.67) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1802171 0.82 HPGDS (0.58) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799832 0.81 HPGDS (0.65) 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 5/4885TXN 2337/4885ALDH1A1 368/4885

“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.