SCHEMBL4408271

SCHEMBL4408271

Cc1ccc(N2CCC(Oc3ccc4c(Cl)c(C(=O)NC5CCNCC5)sc4c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
AR P10275 1/20 0.41
DYRK1A Q13627 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP28 Q96RU2 2/20 0.40
USP25 Q9UHP3 2/20 0.40
HTR4 Q13639 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PRSS12 P56730 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
SCHEMBL651078 0.90 RAB9A (0.46) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL4408267 0.86 NPC1 (0.51) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL4401683 0.85 NPC1 (0.50) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL4403523 0.85 NPC1 (0.50) NPC1RAB9AMAPTHPGDGAA
SCHEMBL4408273 0.84 MAOA (0.51) NPC1RAB9AAR
SCHEMBL4405715 0.82 RAB9A (0.47) NPC1RAB9AALDH1A1LMNA
SCHEMBL4403516 0.82 UTS2R (0.54)
SCHEMBL4403526 0.82 HPGD (0.48) NPC1RAB9AHPGDSMN1; SMN2DYRK1A
SCHEMBL14649234 0.81 MAOB (0.52) MAPTARLMNA
SCHEMBL4405713 0.80 UTS2R (0.54) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 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-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 (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 NPC1 4121/4885RAB9A 4168/4885MAPT 3465/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 NPC1 4121/4885RAB9A 4168/4885MAPT 3465/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 NPC1 3134/4885RAB9A 1773/4885MAPT 2749/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 NPC1 3134/4885RAB9A 1773/4885MAPT 2749/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS NPC1 1669/4885RAB9A 4320/4885MAPT 3407/4885

“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.