SCHEMBL20967842

SCHEMBL20967842

O=C(NO)c1ccc2c(c1)OCCN(C(=O)C1CCCCCCOCC1)C2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.61
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 1/20 0.37

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
SCHEMBL17960144 0.94 HDAC6 (0.68) HDAC6KDM4EHTTNPC1RAB9A
SCHEMBL17960195 0.94 HDAC6 (0.56) HDAC6KDM4EHTTHDAC1ALDH1A1
SCHEMBL17960525 0.93 HDAC6 (0.66) HDAC6KDM4EHTTNPC1RAB9A
SCHEMBL17960341 0.91 HDAC6 (0.63) HDAC6KDM4EHTTNPC1RAB9A
SCHEMBL17959060 0.90 HDAC6 (0.58) HDAC6KDM4EHTTHDAC1MAPT
SCHEMBL17959065 0.89 HDAC6 (0.69) HDAC6KDM4EHTTNPC1RAB9A
SCHEMBL17960362 0.88 HDAC6 (0.59) HDAC6NPC1RAB9AHDAC1
SCHEMBL17960063 0.88 HDAC6 (0.54) HDAC6KDM4EHTTNAMPT
SCHEMBL17960061 0.88 HDAC6 (0.54) HDAC6KDM4EHTTNAMPT
SCHEMBL17960275 0.88 HDAC6 (0.54) HDAC6KDM4EHTTNAMPT

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-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-05-02 — — 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 (2 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-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 HDAC6 6/4885KDM4E 242/4885HTT 783/4885
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 HDAC6 6/4885KDM4E 242/4885HTT 783/4885

“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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