SCHEMBL2944277

SCHEMBL2944277

COC(=O)C1CCC(N2COCC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BTK Q06187 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSP90AA1 P07900 1/20 0.34
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2944275 1.00 BRD4 (0.41) BRD4TP53SMN1; SMN2BTKNPC1
SCHEMBL2944792 0.85 KMT2A (0.39) BRD4TP53SMN1; SMN2BTKNPC1
SCHEMBL2944788 0.85 KMT2A (0.39) BRD4TP53SMN1; SMN2BTKNPC1
SCHEMBL2945600 0.85 BRD4 (0.39) BRD4TP53SMN1; SMN2BTKKMT2A
SCHEMBL2945601 0.85 BRD4 (0.39) BRD4TP53SMN1; SMN2BTKKMT2A
SCHEMBL2947621 0.81 POLB (0.42) NPC1RAB9AKMT2APOLBCYP2C19
SCHEMBL15877800 0.79 BRD4 (0.42) BRD4TP53BTKNPC1RAB9A
SCHEMBL15877802 0.79 BRD4 (0.42) BRD4TP53BTKNPC1RAB9A
SCHEMBL15894484 0.79 BRD4 (0.42) BRD4TP53BTKNPC1RAB9A
SCHEMBL2599858 0.74 NPY5R (0.46) BRD4TP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP 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-20090156803-A1 Condensed furan compounds F2, F12, F11 BRD4 195/4885TP53 3379/4885SMN1; SMN2 4447/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 BRD4 198/4885TP53 3516/4885SMN1; SMN2 4490/4885

“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.