SCHEMBL2702902

SCHEMBL2702902

COc1cccc(O)c1C(=O)NC(C1(c2cccc(F)c2)CCNCC1)S(=O)(=O)NCC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2468487 0.89 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL2469411 0.83 SMN1; SMN2 (0.34) KDM4EKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2469967 0.82 SOAT1 (0.35) KMT2AALDH1A1LMNACYP1A2SMN1; SMN2
SCHEMBL2702436 0.82 KMT2A (0.44) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL2471272 0.81 PNLIP (0.34) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2471510 0.79 SOAT1 (0.34) ALDH1A1CYP2C19TSHR
SCHEMBL2468085 0.78 SOAT1 (0.32) TSHR
SCHEMBL2492124 0.78 SOAT1 (0.32) ALDH1A1TSHR
SCHEMBL2493026 0.77 CCR3 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL2470579 0.77 KMT2A (0.34) KMT2A

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-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-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 KDM4E 485/4885MEN1 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.