SCHEMBL10104762

SCHEMBL10104762

CC1(C(=O)Nc2ccc(CN3CCc4cc(C(=O)NO)ccc4C3)cc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.50
TNF P01375 8/20 0.50
NOD2 Q9HC29 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
PLAU P00749 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.47
ABCB1 P08183 1/20 0.44

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
SCHEMBL9960462 0.88 SMN1; SMN2 (0.50) NOD1TNFNOD2MEN1KMT2A
SCHEMBL10120396 0.84 HDAC6 (0.49) NOD1TNFNOD2MEN1KMT2A
SCHEMBL10120399 0.83 HDAC6 (0.49) HDAC1HDAC6
SCHEMBL12896044 0.79 SMN1; SMN2 (0.62) NOD1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10120395 0.78 HDAC6 (0.51) NOD1TNFNOD2MEN1KMT2A
SCHEMBL10104764 0.77 HDAC6 (0.59) HDAC1HDAC6
SCHEMBL1264338 0.77 HDAC6 (0.65) NOD1TNFNOD2MEN1KMT2A
SCHEMBL12895811 0.76 HDAC1 (0.76) NOD1TNFNOD2HDAC1HDAC6
SCHEMBL1263457 0.74 HDAC6 (0.62) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9950511 0.74 ACACB (0.52) NOD1TNFNOD2MEN1KMT2A

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-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US claimed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 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 (1 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NOD1 2923/4885TNF 760/4885NOD2 1590/4885

“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.