SCHEMBL2122336

SCHEMBL2122336

CN(C)CCCCC[CH]CCCNC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.58
▸ HDAC2 Q92769 5/20 0.58
▸ HDAC8 Q9BY41 5/20 0.58
▸ HDAC6 Q9UBN7 5/20 0.58
▸ HDAC3 O15379 4/20 0.55
▸ HDAC4 P56524 4/20 0.55
▸ HDAC7 Q8WUI4 4/20 0.55
▸ HDAC10 Q969S8 4/20 0.55
▸ HDAC11 Q96DB2 4/20 0.55
▸ HDAC9 Q9UKV0 4/20 0.55
▸ HDAC5 Q9UQL6 4/20 0.55
▸ NAAA Q02083 1/20 0.55
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ THRA P10827 1/20 0.49

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
SCHEMBL2120631 0.85 HPGD (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL11356018 0.80 MEN1 (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2087431 0.79 ALDH1A1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL20547794 0.78 ALDH1A1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL10020214 0.77 HPGD (0.79) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL13886655 0.77 MCHR1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL30074611 0.77 HPGD (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL30074588 0.77 HPGD (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL4449710 0.76 MCHR1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2614252 0.76 SIGMAR1 (0.68) NAAANPC1RAB9ATMEM97SIGMAR1

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-9034624-B2 Process for the synthesis of conjugates of glycosaminoglycanes (GAG) with biologically active molecules, polymeric conjugates and relative uses thereof FIDIA FARMACEUTICI S.P.A. (IT) 2015-05-19 — — US disclosed
US-20120114602-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATES OF GLYCOSAMINOGLYCANES (GAG) WITH BIOLOGICALLY ACTIVE MOLECULES, POLYMERIC CONJUGATES AND RELATIVE USES THEREOF FIDIA FARMACEUTICI S.P.A. (IT) 2012-05-10 — — US disclosed
EP-2443156-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATES OF GLYCOSAMINOGLYCANES (GAG) WITH BIOLOGICALLY ACTIVE MOLECULES, POLYMERIC CONJUGATES AND RELATIVE USES THEREOF FIDIA FARMACEUTICI S.p.A. (IT) 2012-04-25 — — EP disclosed
WO-2010145821-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATES OF GLYCOSAMINOGLYCANES (GAG) WITH BIOLOGICALLY ACTIVE MOLECULES, POLYMERIC CONJUGATES AND RELATIVE USES THEREOF FIDIA FARMACEUTICI S.P.A. (IT) 2010-12-23 — — 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-20120114602-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATES OF GLYCOSAMINOGLYCANES (GAG) WITH BIOLOGICALLY ACTIVE MOLECULES, POLYMERIC CONJUGATES AND RELATIVE USES THEREOF CD44, HGF, INHA HDAC1 2665/4885HDAC2 3509/4885HDAC8 2225/4885

“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.

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