SCHEMBL18229600

SCHEMBL18229600

O=C(NO)c1ccc2nc(-c3ccco3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ TP53 P04637 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ HDAC6 Q9UBN7 15/20 0.62
▸ HDAC3 O15379 8/20 0.62
▸ HDAC1 Q13547 6/20 0.62
▸ HDAC8 Q9BY41 6/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ HDAC2 Q92769 4/20 0.60
▸ ALOX5 P09917 1/20 0.59
▸ EPHX2 P34913 1/20 0.59
▸ USP2 O75604 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL20550456 0.86 ALOX5 (0.63) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL20550627 0.81 ALOX5 (0.64) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL18229570 0.80 MAPT (0.64) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL18229631 0.80 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229571 0.80 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18237054 0.79 HDAC6 (0.95) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229712 0.79 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229486 0.78 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229509 0.77 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL8603371 0.77 ALOX5 (0.73) ALDH1A1RAB9ANPC1TP53POLB

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
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 — — EP claimed
EP-3294715-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-03-21 — — EP claimed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 — — WO claimed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 — — EP disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 — — US disclosed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 — — 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-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 ALDH1A1 448/4885RAB9A 1807/4885NPC1 1797/4885

“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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