SCHEMBL2701002

SCHEMBL2701002

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 3/20 0.67
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 1/20 0.65
TSHR P16473 2/20 0.64
USP2 O75604 1/20 0.64
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.54
TP53 P04637 1/20 0.54
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL2471624 0.84 SMN1; SMN2 (0.58) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3539489 0.80 KMT2A (1.00) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3553134 0.80 SMN1; SMN2 (0.97) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3549274 0.80 ALDH1A1 (0.72) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL4817495 0.80 LMNA (0.71) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL4817503 0.80 LMNA (0.71) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3553965 0.78 TSHR (1.00) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3546099 0.77 KMT2A (0.79) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3543236 0.76 SMN1; SMN2 (0.80) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL2702781 0.74 ALDH1A1 (0.44) ALDH1A1TSHRUSP2CYP2C9

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 10 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-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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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 (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 ALDH1A1 3941/4885LMNA 1070/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885LMNA 1070/4885KMT2A 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.