SCHEMBL5062833

SCHEMBL5062833

O=C(c1ccc2c(c1)N=C(c1ccccc1F)c1ccccc1S2)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
NPC1 O15118 3/20 0.57
TP53 P04637 4/20 0.48
CNR1 P21554 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
STAT1 P42224 1/20 0.48
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 1/20 0.43
PLEC Q15149 1/20 0.43

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 0.88 MEN1 (0.57) KMT2AMEN1NPC1TP53CNR1
SCHEMBL5058781 0.87 MEN1 (0.61) KMT2AMEN1NPC1TP53CNR1
SCHEMBL14043785 0.85 CNR1 (0.68) KMT2AMEN1TP53CNR1CNR2
SCHEMBL14043685 0.85 CNR1 (0.68) KMT2AMEN1TP53CNR1CNR2
SCHEMBL5063069 0.85 KMT2A (0.63) KMT2AMEN1NPC1TP53CNR1
SCHEMBL14043940 0.84 KMT2A (0.53) KMT2AMEN1NPC1TP53CNR1
SCHEMBL5057283 0.84 CNR1 (0.63) KMT2AMEN1NPC1TP53CNR1
SCHEMBL14044033 0.84 CNR1 (0.67) KMT2AMEN1TP53CNR1CNR2
SCHEMBL5057587 0.82 CNR1 (0.61) KMT2AMEN1NPC1TP53CNR1
SCHEMBL5062729 0.82 MEN1 (0.62) KMT2AMEN1NPC1TP53CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO 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 (2 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH KMT2A 3357/4885MEN1 4178/4885NPC1 225/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH KMT2A 3357/4885MEN1 4178/4885NPC1 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.