SCHEMBL9108554

SCHEMBL9108554

O=C(O)C(CC1CCCC1)N1C(=O)Cc2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
MAPK8 P45983 3/20 0.35
AAK1 Q2M2I8 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GFER P55789 1/20 0.34
DPEP1 P16444 1/20 0.33
XIAP P98170 1/20 0.33
CCKBR P32239 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRK1 P41145 1/20 0.33
DNMT1 P26358 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL9106355 0.91 NAMPT (0.37) NAMPTMAPK8AAK1KMT2ANPC1
SCHEMBL9104327 0.86 CCR5 (0.38) NAMPTNPC1RAB9A
SCHEMBL9104376 0.86 GRN (0.39) NAMPTALDH1A1PTGDR2
SCHEMBL9106400 0.86 PDE5A (0.38) NAMPTKMT2ANPC1RAB9ACCKBR
SCHEMBL9106741 0.84 OPRM1 (0.44) CCKBROPRM1OPRL1OPRK1ALDH1A1
SCHEMBL9105977 0.83 HTR2A (0.36) RAB9ALMNACCKBROPRM1OPRL1
SCHEMBL9103429 0.80 GCK (0.51) ALDH1A1
SCHEMBL9908123 0.80 GCK (0.52)
SCHEMBL9107295 0.80 GCK (0.52)
SCHEMBL9105110 0.80 GCK (0.52)

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT NAMPT 398/4885MAPK8 3592/4885AAK1 1889/4885

“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.