SCHEMBL6711709

SCHEMBL6711709

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)[C@@H]3CCCN3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
PLCG2 P16885 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
PTK2B Q14289 1/20 0.34
SCN3A Q9NY46 2/20 0.33
NHERF1 O14745 2/20 0.33
SCN9A Q15858 1/20 0.33
PYGL P06737 3/20 0.33
DHODH Q02127 1/20 0.33
PSMB8 P28062 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
SCHEMBL6711704 1.00 ROCK2 (0.36) ROCK2PLCG2HDAC1HDAC3HDAC4
SCHEMBL6711711 1.00 ROCK2 (0.36) ROCK2PLCG2HDAC1HDAC3HDAC4
SCHEMBL6711631 0.91 HDAC1 (0.35) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6711624 0.91 HDAC1 (0.35) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6711627 0.91 HDAC1 (0.35) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6710288 0.89 JAK2 (0.36) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6710268 0.89 JAK2 (0.36) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6710276 0.89 JAK2 (0.36) ROCK2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6713856 0.89 PLCG2 (0.38) PLCG2PTK2BNHERF1PYGL
SCHEMBL6708060 0.89 KMT2A (0.39) PLCG2PTK2BNHERF1PYGLJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ROCK2 4868/4885PLCG2 4289/4885HDAC1 1910/4885

“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.