SCHEMBL654680

SCHEMBL654680

CCCc1cc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2Br)nn1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.37
MMEL1 Q495T6 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL994633 0.94 HDAC3 (0.36) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL994635 0.94 HDAC3 (0.36) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL650963 0.87 AGTR1 (0.34) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL650964 0.87 AGTR1 (0.34) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL652641 0.86 MME (0.37) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL652634 0.86 MME (0.41) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL652640 0.86 MME (0.37) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL652633 0.86 MME (0.41) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL650982 0.86 HDAC3 (0.38) MMEMMEL1HDAC3HDAC4HDAC1
SCHEMBL650983 0.86 HDAC3 (0.38) MMEMMEL1HDAC3HDAC4HDAC1

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-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 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-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 13/4885MMEL1 695/4885HDAC3 67/4885

“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.