SCHEMBL2540337

SCHEMBL2540337

N=C(CCc1ccc(Cl)cc1)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
IDO1 P14902 5/20 0.46
PLAAT3 P53816 3/20 0.45
PLAAT5 Q96KN8 3/20 0.45
PLAAT2 Q9NWW9 3/20 0.45
PLAAT4 Q9UL19 3/20 0.45
TAAR1 Q96RJ0 2/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL23588129 0.89 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16697880 0.82 TAAR1 (0.45) HDAC1HDAC6HDAC2HDAC8IDO1
SCHEMBL25801556 0.80 POLB (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL23578342 0.80 TAAR1 (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL641405 0.79 IDO1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1342679 0.79 HDAC2 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4847288 0.75 IDO1 (0.58) IDO1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL26784352 0.75 IDO1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL4715995 0.73 IDO1 (0.56) IDO1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27865593 0.72 PLAAT3 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HDAC1 1048/4885HDAC6 2606/4885HDAC3 1606/4885

“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.