SCHEMBL6792495

SCHEMBL6792495

CCCCOc1ccc(CNCCCn2nc3c(c2C(=O)OCC)CCc2cnccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
FAAH O00519 1/20 0.37
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
TBXAS1 P24557 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL1655634 0.89 LMNA (0.35) LMNASMN1; SMN2FAAHS1PR2S1PR1
Trifluoroacetic Acid SCHEMBL1655632 0.87 LMNA (0.38) LMNASMN1; SMN2FAAHS1PR2S1PR1
SCHEMBL6794272 0.80 CCNA2 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6788323 0.79 CDK4 (0.35) LMNAFAAHKMT2ACDK4CCNA2
Hydrochloric Acid SCHEMBL6789049 0.79 CDK2 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6792409 0.79 TEAD2 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4263849 0.79 DGAT1 (0.34) KMT2A
SCHEMBL6793980 0.79 LATS1 (0.37) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6790785 0.78 ALDH1A1 (0.37) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6793245 0.77 CCNA2 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 LMNA 4286/4885SMN1; SMN2 4333/4885FAAH 3141/4885

“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.