SCHEMBL2653630

SCHEMBL2653630

CCOC(=O)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MAPT P10636 7/20 0.59
ALDH1A1 P00352 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
PKM P14618 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
LMNA P02545 3/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PTGER4 P35408 1/20 0.56
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
HCAR3 P49019 1/20 0.51
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 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
SCHEMBL15320701 0.87 HCAR3 (0.68) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL7350368 0.83 MAPT (0.59) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL2653262 0.82 CDC25B (0.58) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL13243719 0.82 KMT2A (0.56) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL1357559 0.81 CDC25B (0.65) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL13243723 0.81 AKR1C3 (0.74) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL13220613 0.81 CDC25B (0.50) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL13243718 0.80 AKR1C4 (0.73) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL11216019 0.79 MAPT (0.55) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL1356910 0.79 KMT2A (0.53) KMT2AMAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 KMT2A 2084/4885MAPT 2156/4885ALDH1A1 600/4885

“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.