SCHEMBL10112907

SCHEMBL10112907

[C-]#[N+]c1ccccc1CN1CCC(NC(=O)c2oc3cc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc3c2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
MCHR1 Q99705 4/20 0.42
F10 P00742 2/20 0.41
CHRM4 P08173 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DRD4 P21917 1/20 0.39
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
UBE2M P61081 1/20 0.38

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
SCHEMBL648519 0.88 KDM4E (0.44) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL648759 0.85 RAB9A (0.47) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL650235 0.85 MAOB (0.49) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL650234 0.85 MCHR1 (0.49) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL647092 0.84 SLC6A5 (0.55) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL646829 0.83 MAOA (0.59) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL3669179 0.83 MAOA (0.41) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL647315 0.83 MAOA (0.50) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL650725 0.82 MAOA (0.44) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL649967 0.80 HDAC4 (0.42) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 KDM4E 403/4885MEN1 2928/4885ALDH1A1 1116/4885

“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.