SCHEMBL12210476

SCHEMBL12210476

Cc1c(C(=O)N2CCCn3cc(C(=O)NO)cc3C2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.53
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CCKBR P32239 1/20 0.45

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
SCHEMBL12210574 0.94 HDAC6 (0.60) HDAC6RAB9ANPC1PKMHDAC3
SCHEMBL12233126 0.80 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL1263823 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC8HPGD
SCHEMBL14883363 0.77 HPGD (0.65) RAB9ANPC1PKMHPGDALDH1A1
SCHEMBL17952720 0.76 HPGD (0.67) RAB9ANPC1PKMHPGDALDH1A1
SCHEMBL12210539 0.76 HDAC6 (0.66) HDAC6PKMHDAC3HDAC1HDAC7
SCHEMBL12210606 0.75 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210516 0.74 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210473 0.74 HDAC6 (0.51) HDAC6PKMHDAC3HDAC1HDAC7
SCHEMBL1174425 0.74 HDAC6 (0.56) HDAC6RAB9ANPC1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885RAB9A 1951/4885NPC1 2742/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885RAB9A 1951/4885NPC1 2742/4885

“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.

Send feedback