SCHEMBL2471864

SCHEMBL2471864

CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)CCN3CCCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FKBP1A P62942 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
GAA P10253 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP7 Q93009 1/20 0.40

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
SCHEMBL2471735 0.89 NPC1 (0.49) ALDH1A1MEN1KMT2ANPC1TDP1
SCHEMBL2471827 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1TDP1
SCHEMBL2470205 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AFKBP1ASIGMAR1
SCHEMBL2470199 0.85 GFER (0.50) ALDH1A1MEN1KMT2ANPC1TDP1
SCHEMBL2468347 0.85 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1TDP1
SCHEMBL2472152 0.84 NPC1 (0.55) ALDH1A1MEN1KMT2ANPC1TDP1
SCHEMBL2467982 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2ANPC1FKBP1A
SCHEMBL2470362 0.83 CYP2D6 (0.45) ALDH1A1MEN1KMT2AFKBP1AGAA
SCHEMBL2469565 0.82 CYP2D6 (0.50) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2467308 0.82 KMT2A (0.42) ALDH1A1MEN1KMT2AFKBP1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885

“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.