SCHEMBL12102420

SCHEMBL12102420

O=C(Cc1ccc(N(CCCl)CCCl)cc1)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.68
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HIF1A Q16665 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 2/20 0.53
THPO P40225 2/20 0.53
PMP22 Q01453 2/20 0.53
GMNN O75496 1/20 0.53
CYP2D6 P10635 1/20 0.53
GABRA1 P14867 1/20 0.53
TSHR P16473 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
CYP3A4 P08684 3/20 0.51

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
SCHEMBL7472387 0.81 ALDH1A1 (0.57) HDAC6HDAC1HDAC2KMT2AALDH1A1
Chlorphenacyl SCHEMBL7468547 0.81 LMNA (0.66) HDAC6HDAC1HDAC2KMT2AALDH1A1
SCHEMBL14839588 0.79 CYP3A4 (0.58) HDAC6HDAC1HDAC2KMT2AALDH1A1
SCHEMBL7907639 0.79 HDAC6 (0.89) HDAC6HDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL7914324 0.79 HDAC6 (0.89) HDAC6HDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL7465257 0.79 CYP4F2 (0.51) HDAC6HDAC1HDAC2KMT2AALDH1A1
Alalon SCHEMBL31687764 0.78 KMT2A (0.65) HDAC6KMT2AALDH1A1SMN1; SMN2HIF1A
SCHEMBL29763168 0.78 HDAC6 (0.53) HDAC6HDAC1HDAC2KMT2AALDH1A1
SCHEMBL9506408 0.78 ALDH1A1 (0.58) HDAC6KMT2AALDH1A1SMN1; SMN2HIF1A
SCHEMBL7900436 0.77 KMT2A (0.69) HDAC6HDAC1HDAC2KMT2AALDH1A1

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-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 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-20140066419-A1 HYDROXAMIC ACID DERIVATIVES HDAC5, HDAC7, HDAC4 HDAC6 7/4885HDAC1 4/4885HDAC2 8/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 HDAC6 12/4885HDAC1 7/4885HDAC2 15/4885

“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.