SCHEMBL4458748

SCHEMBL4458748

O=C(NC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccc(OC3CCN(c4ccc(O)cc4)CC3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.44
TPSAB1 Q15661 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE7B Q9NP56 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4403519 0.94 NAMPT (0.46) NAMPTTPSAB1RAB9ACHRNB2CHRNA7
SCHEMBL648783 0.92 SMN1; SMN2 (0.46) NAMPTTPSAB1RAB9ASMN1; SMN2HTT
SCHEMBL649505 0.92 NAMPT (0.42) NAMPTTPSAB1RAB9AMEN1KMT2A
SCHEMBL16927791 0.87 SMN1; SMN2 (0.45) NAMPTTPSAB1RAB9ACHRNB2CHRNA7
SCHEMBL16927797 0.87 CHRNB2 (0.42) NAMPTTPSAB1RAB9ACHRNB2CHRNA7
SCHEMBL4458563 0.85 DRD4 (0.53) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL4402680 0.84 CHRNB2 (0.44) NAMPTCHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL648628 0.83 CHRNB2 (0.41) NAMPTRAB9ACHRNB2CHRNA7CHRNA4
SCHEMBL648627 0.83 CHRNB2 (0.41) NAMPTRAB9ACHRNB2CHRNA7CHRNA4
SCHEMBL4451000 0.80 ACHE (0.47) KDM4EALDH1A1

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 NAMPT 291/4885TPSAB1 3167/4885RAB9A 4168/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 NAMPT 307/4885TPSAB1 3321/4885RAB9A 1773/4885

“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.