SCHEMBL2990087

SCHEMBL2990087

COc1ccc2c[c]c(O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NQO2 P16083 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.44
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
NCF1 P14598 1/20 0.41
HPGDS O60760 3/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDGFRB P09619 2/20 0.39

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
SCHEMBL693781 0.81 ALDH1A1 (0.46) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL3742730 0.79 ALDH1A1 (0.50) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL2992161 0.78 CYP1A2 (0.50) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL577417 0.74 KDM4E (0.47) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL22323319 0.74 KDM4E (0.50) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL6313088 0.70 APP (0.49) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL1632721 0.70 EGFR (0.57) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL2894578 0.70 EGFR (0.53) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL28402985 0.70 ALDH1A1 (0.46) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL14983351 0.69 ALDH1A1 (0.53) KDM4EALDH1A1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 KDM4E 4444/4885ALDH1A1 3165/4885NPC1 4796/4885

“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.