SCHEMBL7796967

SCHEMBL7796967

O=C(NO)c1cc2c(s1)CN(C(=O)NC1CCCCC1)CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.71
▸ POLB P06746 2/20 0.56
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ PRNP P04156 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1174257 0.83 HDAC6 (1.00) HDAC6POLBNPC1RAB9AALDH1A1
SCHEMBL1173797 0.83 HDAC6 (0.70) HDAC6POLBNPC1RAB9APRNP
SCHEMBL12895847 0.78 HDAC6 (0.71) HDAC6POLBHTTALDH1A1SMN1; SMN2
SCHEMBL1173937 0.75 HDAC6 (0.80) HDAC6NPC1RAB9A
SCHEMBL1173906 0.74 HDAC6 (0.62) HDAC6POLBNPC1RAB9AALDH1A1
SCHEMBL1174246 0.74 HDAC6 (1.00) HDAC6POLBALDH1A1MEN1CYP1A2
SCHEMBL1173763 0.74 HDAC6 (1.00) HDAC6NPC1RAB9A
SCHEMBL1173982 0.74 HDAC6 (0.58) HDAC6NPC1RAB9AALDH1A1MEN1
SCHEMBL1174168 0.74 HDAC6 (0.61) HDAC6POLBNPC1RAB9AHTT
SCHEMBL1175119 0.72 HDAC6 (0.59) HDAC6HTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885POLB 1083/4885NPC1 1431/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885POLB 1083/4885NPC1 1431/4885

“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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