SCHEMBL4452634

SCHEMBL4452634

O=C(NC1CCN(Cc2ccncc2)CC1)c1cc2cc(OC3CCN(c4ccc(O)cc4)CC3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDK1 Q15118 1/20 0.44
MCHR1 Q99705 3/20 0.43
KCNH2 Q12809 2/20 0.43
MAOB P27338 1/20 0.43
PRKAA2 P54646 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATF4 P18848 1/20 0.40

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
SCHEMBL4451000 0.94 ACHE (0.47) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL648353 0.92 PRKAA2 (0.45) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4449531 0.92 ACHE (0.58) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL650231 0.92 DRD4 (0.47) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL647420 0.91 CHRM4 (0.51) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4405721 0.89 UTS2R (0.49) ACHEKDM4EALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL649900 0.88 CHRM4 (0.50) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16927796 0.88 PRKAA2 (0.48) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL650882 0.88 MAOB (0.51) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4405698 0.88 DRD4 (0.47) ACHEKDM4EALDH1A1HPGDHSD17B10

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-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 ACHE 2082/4885KDM4E 1431/4885ALDH1A1 804/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ACHE 1963/4885KDM4E 714/4885ALDH1A1 1121/4885

“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.