SCHEMBL720288

SCHEMBL720288

Cc1c(C(N)=O)[nH]c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAP2K4 P45985 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ATM Q13315 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
SCHEMBL717595 0.71 KIF11 (0.44) KIF11MEN1KMT2AALDH1A1HPGD
SCHEMBL16571050 0.71 MAP2 (0.46) KIF11MEN1KMT2AMAP2K4
SCHEMBL31025910 0.71 MAPT (0.55) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL4616764 0.71 KMT2A (0.64) KIF11MEN1KMT2AMAPTALDH1A1
Guanidine SCHEMBL8688379 0.70 KMT2A (0.56) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL8689814 0.70 MEN1 (0.62) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL28780 0.69 MAPT (0.54) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL16571711 0.69 KIF11 (0.39) KIF11MAP2K4
SCHEMBL30039894 0.68 PARP1 (0.50) KIF11MAPTCA12CA9
SCHEMBL28961839 0.68 PARP1 (0.50) KIF11MAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 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 (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-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KIF11 3846/4885MEN1 2626/4885KMT2A 223/4885

“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.