SCHEMBL2645425

SCHEMBL2645425

N=C(NO)c1cccc([O])c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.41
HDAC6 Q9UBN7 6/20 0.41
KDM4E B2RXH2 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
C1S P09871 1/20 0.35
PLAU P00749 1/20 0.33
TP53 P04637 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL1300280 0.78 CA12 (0.50) HDAC8HDAC6HDAC1HDAC2CA12
SCHEMBL31736878 0.78 CA12 (0.50) HDAC8HDAC6HDAC1HDAC2CA12
SCHEMBL2390912 0.77 C1S (0.61) C1STP53PARP1
SCHEMBL750860 0.77 KDM4E (0.59) KDM4EEGLN2CA12CA1CA9
SCHEMBL2481253 0.75 F2 (0.59) KDM4ECA12CA1CA9HSD17B10
SCHEMBL193148 0.75 HDAC6 (0.60) HDAC8HDAC6KDM4EHDAC1HDAC7
SCHEMBL29967222 0.75 HDAC8 (0.60) HDAC8HDAC6TP53PARP1
SCHEMBL641112 0.75 PARP1 (0.48) KDM4EHDAC1PARP1
SCHEMBL1417382 0.75 HDAC1 (0.38) HDAC8HDAC6KDM4EEGLN2HDAC1
SCHEMBL7525931 0.75 C1S (0.35) HDAC8HDAC6KDM4EEGLN2HDAC1

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HDAC8 56/4885HDAC6 704/4885KDM4E 2940/4885

“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.