SCHEMBL3101372

SCHEMBL3101372

O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2ccncc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.46
CNR1 P21554 5/20 0.45
CNR2 P34972 2/20 0.45
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
P2RX7 Q99572 2/20 0.42
NAMPT P43490 1/20 0.42
MMP9 P14780 5/20 0.42
MMP2 P08253 4/20 0.42
MMP1 P03956 2/20 0.41
ALDH1A1 P00352 1/20 0.40
RORC P51449 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL3110661 1.00 WDR5 (0.46) WDR5CNR1CNR2MAPK1MAPK10
SCHEMBL3102177 0.85 MMP9 (0.45) MAPK1P2RX7NAMPTMMP9MMP2
SCHEMBL3093427 0.85 MMP9 (0.45) MAPK1P2RX7NAMPTMMP9MMP2
SCHEMBL3110646 0.85 MMP9 (0.45) MAPK1P2RX7NAMPTMMP9MMP2
SCHEMBL3106753 0.83 NAMPT (0.58) CNR1CNR2MAPK1P2RX7NAMPT
SCHEMBL3114502 0.83 NAMPT (0.58) CNR1CNR2MAPK1P2RX7NAMPT
SCHEMBL3101362 0.80 TAS1R3 (0.57) CNR1ALDH1A1
SCHEMBL3101304 0.78 ALDH1A1 (0.67) ALDH1A1
SCHEMBL31622392 0.74 CNR1 (0.46) CNR1CNR2MAPK1MAPK10P2RX7
SCHEMBL3112024 0.74 NAMPT (0.51) CNR1CNR2MAPK1MAPK10P2RX7

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 WDR5 2178/4885CNR1 72/4885CNR2 59/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 WDR5 2176/4885CNR1 74/4885CNR2 60/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 WDR5 2178/4885CNR1 72/4885CNR2 59/4885

“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.