SCHEMBL541052

SCHEMBL541052

O=C(CCCCCCl)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.72
HDAC1 Q13547 19/20 0.72
HDAC7 Q8WUI4 19/20 0.72
HDAC11 Q96DB2 19/20 0.72
HDAC8 Q9BY41 19/20 0.72
HDAC6 Q9UBN7 19/20 0.72
HDAC9 Q9UKV0 19/20 0.72
HDAC5 Q9UQL6 19/20 0.72
HDAC3 O15379 18/20 0.72
HDAC2 Q92769 18/20 0.72
HDAC10 Q969S8 18/20 0.72
NCOR1 O75376 2/20 0.72
NCOR2 Q9Y618 2/20 0.72
KDM4E B2RXH2 1/20 0.72
BRD4 O60885 1/20 0.72
NR1I2 O75469 1/20 0.72
EGFR P00533 1/20 0.72
CYP3A4 P08684 1/20 0.72
LTA4H P09960 1/20 0.72
NR0B1 P51843 1/20 0.72

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
SCHEMBL541042 1.00 HDAC4 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL11638411 0.98 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6404247 0.93 HDAC4 (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
Hydrochloric Acid SCHEMBL7806547 0.91 HDAC4 (0.64) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.89 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
Dimethylamine SCHEMBL27288007 0.88 HDAC4 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 HDAC4 1100/4885HDAC1 586/4885HDAC7 1848/4885

“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.