SCHEMBL3096746

SCHEMBL3096746

OC1=C[N]c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
HK1 P19367 1/20 0.32
GALK1 P51570 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HPGD P15428 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL20585044 0.82 MAPT (0.43) APAF1TDP2ALDH1A1MAPTKDM4E
SCHEMBL2159745 0.70 IDO1 (0.33) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL323144 0.70 CYP1A2 (0.33) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8078829 0.69 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL3222329 0.67 BCAT2 (0.38) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL1091565 0.65 GPR84 (0.35) LMNATSHR
SCHEMBL5737227 0.65 MEN1 (0.33) ALDH1A1LMNAMEN1KMT2ABLM
SCHEMBL816040 0.65 ALDH1A1 (0.31) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7835401 0.63 TSHR (0.34) ALDH1A1TSHRIDO1
SCHEMBL597017 0.63 KDM4E (0.34) ALDH1A1MAPTKDM4ELMNAL3MBTL1

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
JP-63088160-A None JP disclosed
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
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 WO disclosed
JP-S6388160-A CINNAMIC ACID DERIVATIVE NIPPON REDARII KK 1988-04-19 JP 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 APAF1 4066/4885TDP2 3050/4885ALDH1A1 4150/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 APAF1 4067/4885TDP2 3049/4885ALDH1A1 4155/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 APAF1 4066/4885TDP2 3050/4885ALDH1A1 4150/4885

“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.