SCHEMBL13643147

SCHEMBL13643147

CC(Cc1ccc(OCc2ccccc2)c(/C=N/N(C)C)c1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
USP2 O75604 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CCR5 P51681 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
APP P05067 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL14870836 0.85 ERN1 (0.44) LMNAUSP2LTB4RLTB4R2ALDH1A1
SCHEMBL13643138 0.85 ERN1 (0.44) LMNAUSP2LTB4RLTB4R2ALDH1A1
SCHEMBL2617294 0.81 TACR1 (0.44) LMNAUSP2KDM4EPOLBMAPT
SCHEMBL13707871 0.81 TACR1 (0.44) LMNAUSP2KDM4EPOLBMAPT
SCHEMBL13643141 0.79 S1PR5 (0.53) LMNAALDH1A1FFAR4HTTPTGER1
SCHEMBL14870838 0.79 S1PR5 (0.53) LMNAALDH1A1FFAR4HTTPTGER1
SCHEMBL14870834 0.78 FOLH1 (0.48) ALDH1A1KDM4EPOLBL3MBTL1MAOB
SCHEMBL13643136 0.78 FOLH1 (0.48) ALDH1A1KDM4EPOLBL3MBTL1MAOB
SCHEMBL14870833 0.78 FOLH1 (0.62) ALDH1A1KDM4EPOLBL3MBTL1FFAR4
SCHEMBL13643137 0.78 FOLH1 (0.62) ALDH1A1KDM4EPOLBL3MBTL1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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 (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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 LMNA 1022/4885USP2 2468/4885LTB4R 4314/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 LMNA 976/4885USP2 2561/4885LTB4R 4259/4885

“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.