SCHEMBL1174168

SCHEMBL1174168

Cc1cc(C)c(NC(=O)N2CCc3cc(C(=O)NO)sc3C2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.61
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ KCNQ2 O43526 3/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ TAS1R2 Q8TE23 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PKM P14618 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
SCHEMBL16220634 0.89 HDAC6 (0.53) HDAC6RAB9ANPC1KCNQ2TAS1R3
SCHEMBL1173926 0.81 HDAC6 (0.57) HDAC6RAB9ANPC1TAS1R3TAS1R1
SCHEMBL12868896 0.80 HDAC6 (0.55) HDAC6RAB9ANPC1TAS1R3TAS1R1
SCHEMBL12868934 0.80 HDAC6 (0.55) HDAC6RAB9ANPC1TAS1R3TAS1R1
SCHEMBL1173982 0.77 HDAC6 (0.58) HDAC6RAB9ANPC1TAS1R3TAS1R1
SCHEMBL1175185 0.77 RAB9A (0.60) HDAC6RAB9ANPC1TAS1R3TAS1R1
SCHEMBL1173842 0.77 HDAC6 (0.57) HDAC6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1174260 0.77 HDAC6 (0.49) HDAC6SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1174246 0.76 HDAC6 (1.00) HDAC6ALDH1A1POLBPKM
SCHEMBL12869007 0.76 HDAC6 (0.58) HDAC6SMN1; SMN2ALDH1A1

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
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — 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 1/4885RAB9A 2388/4885NPC1 1431/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885RAB9A 2388/4885NPC1 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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