SCHEMBL4550103

SCHEMBL4550103

COc1ccccc1OCCn1ccc2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.46
SMPD1 P17405 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL4550178 0.95 SMPD1 (0.47) HDAC8SMPD1HDAC6HDAC1TSHR
SCHEMBL2619419 0.90 ALDH1A1 (0.43) HDAC8HDAC6HDAC1TSHRHTT
SCHEMBL10262477 0.88 HDAC8 (0.46) HDAC8HDAC6HDAC1LMNAMAPT
SCHEMBL10262998 0.86 HDAC6 (0.38) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2619276 0.86 EIF4EBP1 (0.38) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL10268001 0.85 HDAC6 (0.51) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2116432 0.85 HDAC6 (0.56) HDAC8SMPD1HDAC6HDAC1SMN1; SMN2
SCHEMBL2619285 0.85 S1PR1 (0.40) HDAC8HDAC6HDAC1MAPTHDAC3
SCHEMBL2118644 0.85 HDAC6 (0.46) HDAC8SMPD1HDAC6HDAC1HTT
SCHEMBL2619238 0.85 TNF (0.43) HDAC8HDAC6HDAC1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC8 14/4885SMPD1 3414/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC8 14/4885SMPD1 3414/4885HDAC6 1/4885

“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.