SCHEMBL2465742

SCHEMBL2465742

COc1ccccc1C(=O)NC(Cc1ccccc1)C1(c2cccc(Cl)c2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CHRM3 P20309 1/20 0.41
GRM5 P41594 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
KCNA3 P22001 4/20 0.40
ITGA4 P13612 3/20 0.40
ITGB7 P26010 3/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KCNMA1 Q12791 1/20 0.39
HIF1A Q16665 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
SCHEMBL2471550 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2ACHRM3HPGD
SCHEMBL2470590 0.89 PSMB5 (0.52) PSMB5ALDH1A1MEN1KMT2ANPC1
SCHEMBL2469393 0.89 ITGA4 (0.38) PSMB5ALDH1A1ITGA4ITGB7ITGB1
SCHEMBL2470270 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACHRM3HPGD
SCHEMBL2465502 0.81 NPC1 (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2470620 0.81 SMN1; SMN2 (0.43) PSMB5ALDH1A1MEN1KMT2ANPC1
SCHEMBL2468205 0.80 ITGA4 (0.42) ALDH1A1MEN1KMT2AATMITGA4
SCHEMBL2468531 0.80 NPC1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2470795 0.76 MEN1 (0.63) ALDH1A1MEN1KMT2AKCNA3P2RX7
SCHEMBL2472052 0.74 CTRB1 (0.46) NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (2 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 PSMB5 967/4885ALDH1A1 3941/4885MEN1 3501/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 PSMB5 967/4885ALDH1A1 3941/4885MEN1 3501/4885

“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.