SCHEMBL21769253

SCHEMBL21769253

CN(C)CCCOc1ccc(F)c(C(=O)N2CCN(C3c4ccccc4-c4ncccc43)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
FAAH O00519 1/20 0.38
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL21769236 0.92 HSP90B1 (0.44) HSP90B1TRAP1FAAHPDK2ALDH1A1
SCHEMBL21769483 0.87 TRAP1 (0.43) HSP90B1TRAP1PDK2KDM4EALDH1A1
SCHEMBL21769498 0.86 HSD17B10 (0.40) HSP90B1TRAP1FAAHKDM4EALDH1A1
SCHEMBL21769528 0.86 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2FNTAFNTB
SCHEMBL21769408 0.85 MAPT (0.41) KDM4EFNTAFNTB
SCHEMBL21769409 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2FNTAFNTB
SCHEMBL21769254 0.84 THRA (0.39) HSP90B1TRAP1KDM4EFNTAFNTB
SCHEMBL21769530 0.82 ESR1 (0.44) ALDH1A1SMN1; SMN2FNTAFNTB
SCHEMBL21769508 0.82 FNTA (0.37) KDM4ESMN1; SMN2FNTAFNTB
SCHEMBL21769462 0.81 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2FNTAFNTB

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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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 (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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 HSP90B1 437/4885TRAP1 200/4885FAAH 4803/4885

“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.