SCHEMBL3612939

SCHEMBL3612939

O=C(NO)c1ccc(CN(Cc2nc3ccccc3[nH]2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.57
HDAC1 Q13547 11/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
KLF5 Q13887 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 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
SCHEMBL3604538 0.90 HSD17B10 (0.56) HSD17B10ALDH1A1NPC1PKMRAB9A
SCHEMBL14005192 0.81 MAPT (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL4931176 0.78 HDAC1 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL4931179 0.78 HDAC1 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL8509650 0.75 TDP1 (0.55) HSD17B10ALDH1A1PKMTDP1KDM4E
SCHEMBL3608521 0.74 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL8239304 0.74 HDAC1 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL3607450 0.74 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL14025799 0.73 ITGB3 (0.53) HSD17B10ALDH1A1NPC1PKMRAB9A
SCHEMBL7274899 0.73 ALDH1A1 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HDAC6 90/4885HDAC1 307/4885HDAC8 1066/4885

“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.