SCHEMBL1799503

SCHEMBL1799503

CN(C)CCNC(=O)c1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 2/20 0.47
ABL1 P00519 2/20 0.46
HTT P42858 2/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDR P35968 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL1799498 0.93 TP53 (0.48) LMNATP53ESR1ALDH1A1HPGD
SCHEMBL1801137 0.81 ESR1 (0.59) LMNAESR1ALDH1A1HPGDPOLB
SCHEMBL1801704 0.80 ALDH1A1 (0.53) LMNAESR1ALDH1A1HPGDPOLB
SCHEMBL1797691 0.79 CHEK2 (0.64) ESR1ALDH1A1HPGDPOLBRAB9A
SCHEMBL1802425 0.79 CHEK2 (0.52) LMNATP53ALDH1A1HPGDPOLB
SCHEMBL18890638 0.77 ALDH1A1 (0.63) LMNATP53ESR1ALDH1A1HPGD
SCHEMBL1799548 0.75 ESR1 (0.59) LMNATP53ESR1ALDH1A1HPGD
SCHEMBL20982661 0.75 HDAC6 (0.60) HRH4HRH3CHEK2
SCHEMBL1800835 0.74 HPGDS (0.64) LMNAESR1ALDH1A1HPGDPOLB
SCHEMBL21017767 0.74 NR4A2 (0.59) HRH4HRH3CHEK2

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 LMNA 3021/4885TP53 2496/4885ESR1 563/4885

“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.