SCHEMBL5058781

SCHEMBL5058781

O=C(c1ccc2c(c1)N=C(c1ccccc1)c1ccccc1S2)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 3/20 0.59
HPGD P15428 5/20 0.52
CNR1 P21554 4/20 0.52
ALDH1A1 P00352 2/20 0.52
STAT1 P42224 1/20 0.52
PLEC Q15149 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5057201 0.92 MEN1 (0.57) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5057283 0.92 CNR1 (0.63) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5057587 0.90 CNR1 (0.61) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5062833 0.87 KMT2A (0.59) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5063069 0.84 KMT2A (0.63) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5054094 0.84 CNR1 (0.71) MEN1KMT2ACNR1PLECTP53
SCHEMBL5062729 0.83 MEN1 (0.62) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5064844 0.82 PLEC (0.67) CNR1ALDH1A1PLECTP53GAA
SCHEMBL14043940 0.82 KMT2A (0.53) MEN1KMT2ANPC1HPGDCNR1
SCHEMBL5058757 0.82 HTT (0.56) MEN1KMT2ANPC1HPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 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 (3 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 MEN1 554/4885KMT2A 1534/4885NPC1 1027/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH MEN1 4178/4885KMT2A 3357/4885NPC1 225/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MEN1 4178/4885KMT2A 3357/4885NPC1 225/4885

“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.