SCHEMBL16463702

SCHEMBL16463702

CCCc1c(C(N)=O)cc(C)c(C)c1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.53
MKNK2 Q9HBH9 13/20 0.53
KCNH2 Q12809 3/20 0.42
ATM Q13315 2/20 0.42
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BTK Q06187 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL5377283 0.77 MKNK1 (0.51) MKNK1MKNK2KCNH2ATMBTK
SCHEMBL16463960 0.77 MKNK1 (0.48) MKNK1MKNK2KCNH2ATMBTK
SCHEMBL16463132 0.77 MKNK1 (0.48) MKNK1MKNK2
SCHEMBL28258123 0.74 MKNK1 (0.72) MKNK1MKNK2KCNH2ATMSIRT3
SCHEMBL6237449 0.74 MKNK1 (0.62) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL30338479 0.73 MKNK1 (0.67) MKNK1MKNK2KCNH2ATMBTK
SCHEMBL16463459 0.72 MKNK1 (0.41) MKNK1MKNK2KCNH2ATMSIRT3
SCHEMBL30702229 0.71 MKNK1 (0.59) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL30702237 0.71 MKNK1 (0.59) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL6237458 0.71 MKNK1 (0.58) MKNK1MKNK2SIRT3TDP1BTK

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-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION MINDIMMUNE THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 US disclosed
US-9649308-B2 Benzamide-containing compounds and their use in the treatment of pain H. LUNDBECK A/S (DK) 2017-05-16 US disclosed
US-20150283134-A1 Benzamides MINDIMMUNE THERAPEUTICS, INC. 2015-10-08 US disclosed
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9102591-B2 Benzamides H. LUNDBECK A/S (DK) 2015-08-11 US disclosed
WO-2014057078-A1 BENZAMIDES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
US-20140107340-A1 Benzamides H. LUNDBECK A/S (DK) 2014-04-17 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 (5 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-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION P2RX5, P2RX7, P2RX2 MKNK1 4434/4885MKNK2 4014/4885KCNH2 162/4885
US-20140107340-A1 Benzamides P2RX7, TRPV1, P2RX5 MKNK1 4616/4885MKNK2 4281/4885KCNH2 285/4885
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy P2RX5, P2RX7, P2RX6 MKNK1 4447/4885MKNK2 4035/4885KCNH2 98/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 MKNK1 4447/4885MKNK2 4035/4885KCNH2 98/4885
US-20150283134-A1 Benzamides P2RX7, TRPV1, P2RX5 MKNK1 4616/4885MKNK2 4281/4885KCNH2 285/4885

“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.