SCHEMBL1802171

SCHEMBL1802171

Cc1[nH]c(C(=O)NCCN2CCCC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.58
ATR Q13535 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ABCC4 O15439 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDR P35968 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1801862 0.99 HPGDS (0.57) HPGDSATRMEN1KMT2AALDH1A1
SCHEMBL1802167 0.93 HPGDS (0.49) HPGDSATRMEN1KMT2AALDH1A1
SCHEMBL1801860 0.93 HPGDS (0.49) HPGDSATRMEN1KMT2AALDH1A1
SCHEMBL1801803 0.86 HPGDS (0.63) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1803217 0.86 HPGDS (0.63) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1799469 0.84 HPGDS (0.65) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1799832 0.84 HPGDS (0.65) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1800835 0.83 HPGDS (0.64) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1801036 0.82 HPGDS (0.59) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL1798599 0.82 HPGDS (0.61) HPGDSMEN1KMT2AALDH1A1HPGD

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 HPGDS 5/4885ATR 4461/4885MEN1 3586/4885

“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.