SCHEMBL651078

SCHEMBL651078

O=C(NC1CCNCC1)c1sc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
AR P10275 1/20 0.40
TEAD1 P28347 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.37
SCN9A Q15858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PRSS12 P56730 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL4408271 0.90 NPC1 (0.56) RAB9ANPC1MAPTHPGDAR
SCHEMBL3668144 0.89 RAB9A (0.45) RAB9ANPC1MAPTHPGDAR
SCHEMBL648544 0.86 PRSS12 (0.43) RAB9ANPC1MAPTHPGDAR
SCHEMBL648509 0.86 NPC1 (0.43) RAB9ANPC1MAPTHPGDAR
SCHEMBL648784 0.86 SLC6A5 (0.45) RAB9ANPC1TEAD1UTS2R
SCHEMBL648365 0.85 PRKAA2 (0.48) TEAD1UTS2R
SCHEMBL649739 0.83 UTS2R (0.51) TEAD1UTS2RSCN9A
SCHEMBL648860 0.83 RAB9A (0.47) RAB9ANPC1ALDH1A1LMNA
SCHEMBL647860 0.82 SLC6A5 (0.55) HPGD
SCHEMBL4350210 0.82 MAOB (0.48) MAPTTEAD1UTS2RKDM1ASCN9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
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-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-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-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-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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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 (5 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 RAB9A 4168/4885NPC1 4121/4885MAPT 3465/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 RAB9A 4168/4885NPC1 4121/4885MAPT 3465/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 RAB9A 1773/4885NPC1 3134/4885MAPT 2749/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS RAB9A 4320/4885NPC1 1669/4885MAPT 3407/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 RAB9A 2642/4885NPC1 3569/4885MAPT 2146/4885

“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.