SCHEMBL7345362

SCHEMBL7345362

CCCNNC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
NCOR2 Q9Y618 2/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.49
HDAC8 Q9BY41 2/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL16300489 0.90 HDAC3 (0.60) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL27627546 0.88 HDAC3 (0.54) HDAC3HDAC1HDAC2HTTHDAC8
SCHEMBL27949558 0.88 HDAC3 (0.54) HDAC3HDAC1HDAC2HTTHDAC8
SCHEMBL27949557 0.88 HDAC3 (0.54) HDAC3HDAC1HDAC2HTTHDAC8
SCHEMBL28283782 0.88 HDAC3 (0.54) HDAC3HDAC1HDAC2HTTHDAC8
SCHEMBL27686370 0.88 HDAC3 (0.54) HDAC3HDAC1HDAC2HTTHDAC8
SCHEMBL7768532 0.86 ALDH1A1 (0.56) LMNASMN1; SMN2ALDH1A1HTTCA12
SCHEMBL733157 0.85 LMNA (0.71) LMNASMN1; SMN2ALDH1A1HTTCA12
SCHEMBL7405576 0.83 HTT (0.65) LMNASMN1; SMN2ALDH1A1HTTCA12
Hydrochloric Acid SCHEMBL27543692 0.83 LMNA (0.69) LMNASMN1; SMN2ALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR OCEAN UNIVERSITY OF CHINA (CN) 2024-10-03 US disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO disclosed
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION 2010-04-29 US disclosed
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION 2010-04-29 US disclosed
WO-2008118332-A2 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION (US) 2008-10-02 WO disclosed
US-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 US disclosed
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 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 (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-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC1 2/4885HDAC2 4/4885
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE PREP, HPN, VIP HDAC3 406/4885HDAC1 640/4885HDAC2 1115/4885

“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.