SCHEMBL16776446

SCHEMBL16776446

C=C(Nc1cccc(-c2ccc(CNC(C)=N)o2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.36
▸ FYN P06241 2/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ EPHB4 P54760 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BRAF P15056 4/20 0.32
▸ RAF1 P04049 2/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ LYN P07948 1/20 0.31

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
SCHEMBL16776437 0.82 RHOA (0.43) FYNBRAFRAF1PRKCQ
SCHEMBL20632351 0.81 KDM4E (0.37) SIGMAR1FYNEPHB4KDM4EKMT2A
SCHEMBL16776304 0.75 MCHR1 (0.46) FYNKMT2AMEN1
SCHEMBL16776412 0.74 FYN (0.41) FYNEPHB4KMT2AMEN1ALDH1A1
SCHEMBL16776322 0.74 NPC1 (0.44) FYNKMT2ASMN1; SMN2MEN1BRAF
SCHEMBL16776367 0.73 NPC1 (0.44) FYNKMT2AMEN1BRAFRAF1
SCHEMBL20633190 0.73 FYN (0.32) FYNKDM4ESMN1; SMN2ALDH1A1BRAF
SCHEMBL16776329 0.73 FYN (0.42) FYNSMN1; SMN2BRAFRAF1KDR
SCHEMBL16775875 0.73 RHOA (0.46) FYNBRAFRAF1HTR2AHTR2C
SCHEMBL16776323 0.72 RAF1 (0.44) FYNKMT2ASMN1; SMN2MEN1ALDH1A1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SIGMAR1 4514/4885FYN 2694/4885CACNA1G 4560/4885

“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.

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