SCHEMBL5057182

SCHEMBL5057182

CCCCC1=Nc2cc(C(=O)NN3CCCCC3)ccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CNR1 P21554 2/20 0.65
TP53 P04637 7/20 0.61
PLA2G1B P04054 2/20 0.59
HTT P42858 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPT P10636 1/20 0.59
PAX8 Q06710 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
PLEC Q15149 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5057218 0.97 MEN1 (0.64) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL5054291 0.94 MEN1 (0.73) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL5058692 0.86 CNR1 (0.66) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL14205946 0.84 TP53 (0.70) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL5057217 0.83 CNR1 (0.65) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL14542215 0.82 TP53 (0.68) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL13808255 0.82 PLEC (0.64) MEN1KMT2ACNR1TP53PLA2G1B
SCHEMBL5057212 0.81 CNR1 (0.73) MEN1KMT2ACNR1TP53HTT
Hydrochloric Acid SCHEMBL5054136 0.81 CNR1 (0.72) MEN1KMT2ACNR1TP53HTT
SCHEMBL5062721 0.81 CNR1 (0.72) MEN1KMT2ACNR1TP53HTT

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 MEN1 554/4885KMT2A 1534/4885CNR1 4354/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH MEN1 4178/4885KMT2A 3357/4885CNR1 1/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MEN1 4178/4885KMT2A 3357/4885CNR1 1/4885

“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.