SCHEMBL1799548

SCHEMBL1799548

O=C(c1ccccc1)c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
MAPT P10636 5/20 0.58
ALDH1A1 P00352 5/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
METAP1 P53582 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
USP2 O75604 4/20 0.57
PKM P14618 3/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CHEK2 O96017 3/20 0.57
POLB P06746 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 4/20 0.56
TP53 P04637 3/20 0.56

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
SCHEMBL1799546 0.91 MAPT (0.50) ESR1MAPTALDH1A1RAB9ANPC1
SCHEMBL1801137 0.86 ESR1 (0.59) ESR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL18890638 0.86 ALDH1A1 (0.63) ESR1MAPTALDH1A1RAB9ANPC1
SCHEMBL1797691 0.84 CHEK2 (0.64) ESR1ALDH1A1RAB9ASMN1; SMN2METAP1
SCHEMBL18229570 0.83 MAPT (0.64) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1801704 0.80 ALDH1A1 (0.53) ESR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL2243148 0.79 CHEK2 (0.80) ESR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL14642947 0.78 ABL1 (0.69) ESR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL27765862 0.76 CHEK2 (0.78) ESR1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL1801134 0.76 ESR1 (0.47) ESR1MAPTALDH1A1RAB9ANPC1

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 ESR1 563/4885MAPT 1753/4885ALDH1A1 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.