SCHEMBL1799546

SCHEMBL1799546

O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
USP2 O75604 4/20 0.49
PKM P14618 3/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 5/20 0.48
TP53 P04637 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPK1 P28482 3/20 0.48
RECQL P46063 3/20 0.48

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
SCHEMBL1799548 0.91 ESR1 (0.59) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL1801134 0.86 ESR1 (0.47) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL18890640 0.86 ALDH1A1 (0.50) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL1797688 0.84 CHEK2 (0.52) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12320786 0.83 ESR1 (0.45) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL27202467 0.82 MAPT (0.61) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL1801701 0.80 ESR1 (0.43) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL34467256 0.79 CHEK2 (0.64) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL12618152 0.79 HPGD (0.45) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL1801947 0.78 ALDH1A1 (0.41) MAPTRAB9AALDH1A1NPC1KDM4E

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 10 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
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-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US 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
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 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
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 MAPT 1753/4885RAB9A 3675/4885ALDH1A1 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.