SCHEMBL7218629

SCHEMBL7218629

CC(C)(C)CCNC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC3 O15379 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC4 P56524 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
MLYCD O95822 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CTNNB1 P35222 1/20 0.47

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
SCHEMBL14273732 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL10272693 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL8532983 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13314553 0.82 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL8532136 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL30914584 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL9479087 0.81 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL9670430 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL29214182 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL3428616 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 US disclosed
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 HDAC1 401/4885HDAC2 807/4885HDAC3 677/4885

“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.