SCHEMBL17135782

SCHEMBL17135782

Nc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)nc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE7A Q13946 4/20 0.42
▸ PIN1 Q13526 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL17135764 0.83 PDE7A (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15602177 0.77 KDM4E (0.48) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL2264423 0.77 TDP1 (0.49) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL12364210 0.73 TDP1 (0.51) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3643429 0.71 MAPT (0.49) KMT2AMEN1ALDH1A1MAPTPIN1
SCHEMBL15570972 0.70 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1897629 0.68 CRHBP (0.58) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL653911 0.68 TDP1 (0.81) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL9251355 0.68 TSHR (0.58) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL31570099 0.68 MAPT (0.58) KMT2AMEN1ALDH1A1MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 — — EP disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 — — US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 — — US 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-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 KMT2A 1618/4885MEN1 3377/4885ALDH1A1 1088/4885

“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.

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