SCHEMBL12211012

SCHEMBL12211012

CC1c2cc(C(=O)NO)nn2CCN1C(=O)c1cc2ccccc2n1C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.65
▸ MCL1 Q07820 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ GRM4 Q14833 1/20 0.36

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
SCHEMBL12211079 0.82 HDAC6 (0.61) HDAC6HDAC1HDAC2GRM5NPC1
SCHEMBL2524083 0.80 HDAC6 (0.52) HDAC6MCL1CHRNA7HDAC1HDAC2
SCHEMBL12210732 0.79 HDAC6 (0.50) HDAC6CHRNA7HDAC1HDAC2GRM5
SCHEMBL12210700 0.79 HDAC6 (0.46) HDAC6MCL1CHRNA7HDAC1HDAC2
SCHEMBL12210524 0.79 HDAC6 (1.00) HDAC6MCL1HDAC1HDAC2GRM5
SCHEMBL12211107 0.78 GRM5 (0.51) HDAC6GRM5MAPTMEN1KMT2A
SCHEMBL12210635 0.75 HDAC6 (0.89) HDAC6MCL1HDAC1HDAC2GRM5
SCHEMBL12210736 0.74 HDAC6 (0.38) HDAC6GRM5
SCHEMBL12210864 0.72 HDAC6 (0.37) HDAC6GRM5
SCHEMBL12211039 0.72 HDAC6 (0.50) HDAC6MCL1CHRNA7HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US claimed
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-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
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US 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 1/4885MCL1 1213/4885CHRNA7 1015/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885MCL1 1213/4885CHRNA7 1015/4885

“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