SCHEMBL5054147

SCHEMBL5054147

Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)N=C(CC(C)C)c3ccccc3S4)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
TP53 P04637 1/20 0.52
NPC1 O15118 2/20 0.52
HTT P42858 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.46
PLEC Q15149 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.43
HPGD P15428 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
SCHEMBL5054318 0.88 MEN1 (0.62) KMT2AMEN1TP53NPC1HTT
SCHEMBL5057347 0.87 MEN1 (0.61) KMT2AMEN1TP53NPC1HTT
SCHEMBL13807836 0.85 NPC1 (0.56) KMT2AMEN1TP53NPC1HTT
SCHEMBL5058757 0.84 HTT (0.56) KMT2AMEN1TP53NPC1HTT
SCHEMBL14206085 0.82 MEN1 (0.69) KMT2AMEN1TP53NPC1POLB
SCHEMBL13807838 0.81 CNR1 (0.56) KMT2AMEN1TP53NPC1HTT
SCHEMBL5058752 0.81 CNR1 (0.59) KMT2AMEN1TP53NPC1HTT
SCHEMBL16316851 0.78 MEN1 (0.69) KMT2AMEN1TP53NPC1HTT
SCHEMBL5577095 0.76 MAPT (0.34) KMT2AMEN1TP53HTTPOLB
SCHEMBL14512543 0.75 MEN1 (0.64) KMT2AMEN1TP53NPC1HTT

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 13 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 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
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
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES 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 (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 KMT2A 1534/4885MEN1 554/4885TP53 4530/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH KMT2A 3357/4885MEN1 4178/4885TP53 4870/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH KMT2A 3357/4885MEN1 4178/4885TP53 4870/4885

“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.