SCHEMBL3112685

SCHEMBL3112685

O=C(NC1CCCc2ccccc21)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
LMNA P02545 3/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 6/20 0.69
TSHR P16473 1/20 0.69
TAS1R3 Q7RTX0 6/20 0.65
TAS1R1 Q7RTX1 6/20 0.65
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 1/20 0.64
TAS1R2 Q8TE23 3/20 0.61
POLB P06746 1/20 0.61
CYP2D6 P10635 1/20 0.61
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58

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
SCHEMBL3112168 0.93 HTT (0.60) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL12505792 0.92 HTT (0.80) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL30823638 0.90 HTT (0.84) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL22289415 0.90 HTT (0.84) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL14082491 0.89 ALDH1A1 (0.77) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL3093230 0.85 ALDH1A1 (0.65) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL14082169 0.85 HTT (0.71) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL2406255 0.84 HTT (1.00) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL5436807 0.84 HTT (1.00) HTTLMNAKMT2AALDH1A1TSHR
SCHEMBL3101304 0.83 ALDH1A1 (0.67) HTTKMT2AALDH1A1TSHRTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 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 (3 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-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HTT 4433/4885LMNA 2453/4885KMT2A 3138/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HTT 4425/4885LMNA 2482/4885KMT2A 3124/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 HTT 4433/4885LMNA 2453/4885KMT2A 3138/4885

“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.