SCHEMBL3669343

SCHEMBL3669343

CCCCCn1c(O)nc2nccc(C(=O)O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK8 P45983 3/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37

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
SCHEMBL3675331 0.86 GRK6 (0.44) ALDH1A1NPSR1PDE4BKDM4EMEN1
SCHEMBL2297790 0.81 PDE4B (0.46) ALDH1A1GLACYP1A2CYP2D6CYP2C9
SCHEMBL3670167 0.78 TLR8 (0.38) ALDH1A1PDE4BTLR8
SCHEMBL2301220 0.77 AGTR1 (0.42)
SCHEMBL3672677 0.77 CASP1 (0.36) ALDH1A1GLAPDE4BKDM4EMAPT
SCHEMBL3669331 0.75 TLR8 (0.48) ALDH1A1GLACYP1A2CYP2D6CYP2C9
SCHEMBL3670605 0.75 CNR2 (0.34) ALDH1A1GLACYP1A2CYP2D6CYP2C9
SCHEMBL3669340 0.74 KDM5B (0.37) MAPK8KDM4EMAPTFABP4KDM4A
SCHEMBL2300026 0.72 PTPN11 (0.41) CNR2
SCHEMBL2299848 0.72 RARB (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 ALDH1A1 4750/4885GLA 1402/4885CYP1A2 4681/4885

“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.