SCHEMBL5579985

SCHEMBL5579985

Cn1c(-c2ccc(O)cc2)nc2cc(O)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 3/20 0.49
PKM P14618 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
RAD51 Q06609 1/20 0.48
ESR1 P03372 1/20 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
SCHEMBL11326133 0.83 ALDH1A1 (0.71) CA1CA2ALDH1A1KDM4ENPC1
SCHEMBL2515278 0.80 KDM4E (0.55) HDAC1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5579938 0.80 JAK2 (0.56) ALDH1A1KDM4EGAAESR1MAPT
SCHEMBL10423590 0.77 MEN1 (0.57) CA1CA2CA12CA9HDAC1
SCHEMBL5579673 0.77 PTGES (0.64) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL20982735 0.77 ALDH1A1 (0.63) CA1CA2CA12CA9HDAC1
SCHEMBL20982514 0.77 KDM4E (0.68) CA1CA2CA12CA9HDAC1
SCHEMBL20982642 0.76 KDM4E (0.71) CA1CA2CA12CA9HDAC1
SCHEMBL1104828 0.76 HDAC1 (0.64) CA1CA2CA12CA9HDAC1
SCHEMBL2251213 0.76 KDM4E (0.71) CA1CA2CA12CA9HDAC1

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
US-20070004713-A1 Therapeutic benimidazole compounds ASTRAZENECA AB (SE) 2007-01-04 US disclosed
EP-1341768-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046168-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20070004713-A1 Therapeutic benimidazole compounds ESR2, ESRRA, ESRRB CA1 3081/4885CA2 3914/4885CA12 4470/4885

“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.