SCHEMBL2299739

SCHEMBL2299739

FC(F)(F)c1cccc(OCC2C[N]C2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
GRM2 Q14416 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
FFAR1 O14842 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2665473 0.86 KMT2A (0.56) KMT2AATMGRM2LMNAPKM
SCHEMBL2300796 0.82 ALDH1A1 (0.42) FFAR1ALDH1A1
SCHEMBL21430664 0.82 KMT2A (0.52) KMT2AATMGRM2FFAR1HRH3
SCHEMBL2299216 0.82 KMT2A (0.59) KMT2AATMGRM2L3MBTL1KDM4E
SCHEMBL2299932 0.81 LTA4H (0.47) KMT2AGRM2MAOBAOC3ALDH1A1
SCHEMBL30539178 0.81 KMT2A (0.51) KMT2AATMGRM2LMNAPKM
SCHEMBL29042315 0.81 KMT2A (0.51) KMT2AATMGRM2LMNAPKM
SCHEMBL2298298 0.80 ALDH1A1 (0.42) MAOBALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL24340930 0.77 TP53 (0.70) KMT2AATMGRM2LMNAPKM
SCHEMBL5513268 0.77 TP53 (0.70) KMT2AATMGRM2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I KMT2A 1099/4885ATM 4743/4885GRM2 726/4885

“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.