SCHEMBL1801700

SCHEMBL1801700

Cc1cc(N2CCCC2)oc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PIK3CA P42336 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
IP6K1 Q92551 1/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27965521 0.98 MEN1 (0.45) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL6942194 0.69 KMT2A (0.59) KMT2AMEN1ALDH1A1APEX1KDM4E
SCHEMBL7376159 0.69 KMT2A (0.59) KMT2AMEN1ALDH1A1APEX1KDM4E
SCHEMBL28443819 0.67 KMT2A (0.57) KMT2AMEN1ALDH1A1APEX1KDM4E
SCHEMBL15349677 0.67 KMT2A (0.57) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL4367459 0.66 KMT2A (0.55) KMT2AMEN1TSHRALDH1A1APEX1
SCHEMBL9310899 0.66 KMT2A (0.55) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL27785683 0.66 KMT2A (0.50) KMT2AMEN1APEX1KDM4EPOLB
SCHEMBL13366302 0.66 ELANE (0.45) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL27791785 0.64 APEX1 (0.57) KMT2AMEN1ALDH1A1NPSR1APEX1

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 KMT2A 3934/4885MEN1 3586/4885TSHR 4131/4885

“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.