SCHEMBL1801704

SCHEMBL1801704

CN(C)Cc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESR1 P03372 1/20 0.53
CHEK2 O96017 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 3/20 0.50
METAP1 P53582 1/20 0.50
FABP6 P51161 1/20 0.50
HPGDS O60760 2/20 0.49
PKM P14618 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1801701 0.92 ESR1 (0.43) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL18890638 0.82 ALDH1A1 (0.63) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1801137 0.80 ESR1 (0.59) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799548 0.80 ESR1 (0.59) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799503 0.80 LMNA (0.48) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1797691 0.78 CHEK2 (0.64) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL2243148 0.74 CHEK2 (0.80) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL18890640 0.73 ALDH1A1 (0.50) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1801947 0.73 ALDH1A1 (0.41) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799498 0.72 TP53 (0.48) 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.