SCHEMBL4437576

SCHEMBL4437576

CC1(C)c2cc(C(N)=O)ccc2NC2c3cc(Br)ccc3SCC21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
NQO2 P16083 1/20 0.33
KDM1A O60341 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.31
F10 P00742 3/20 0.31
F11 P03951 3/20 0.31
F7 P08709 3/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRD1 P41143 2/20 0.30
KMT2A Q03164 1/20 0.30
BACE1 P56817 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4556347 0.80 HTR1A (0.39) MAPTNQO2USP2F10F11
SCHEMBL4556457 0.78
SCHEMBL4610350 0.78
SCHEMBL4556198 0.78
SCHEMBL4815338 0.78 F10 (0.34) KDM1APARP1F10F11F7
SCHEMBL4817139 0.77 GAA (0.34) PARP1F10F11F7
SCHEMBL4813240 0.76 MAPT (0.35) MAPTPOLBPARP1F10F11
SCHEMBL4445605 0.76 MKNK1 (0.33) MAPTPARP1F10F11F7
SCHEMBL4437282 0.74 MAPK1 (0.36) MAPTPOLBF10F11F7
SCHEMBL4555635 0.68 F10 (0.34) KDM1APARP1F10F11F7

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
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885NQO2 1454/4885KDM1A 4752/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885NQO2 1454/4885KDM1A 4752/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885NQO2 1454/4885KDM1A 4752/4885

“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.