SCHEMBL4401683

SCHEMBL4401683

Cc1ccc(N2CCC(Oc3ccc4c(Cl)c(C(=O)NC5CCN(C(=O)c6ccncc6)CC5)sc4c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PRSS12 P56730 3/20 0.44
PRKAA2 P54646 4/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PPP1CA P62136 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
DYRK1A Q13627 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 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
SCHEMBL648544 0.91 PRSS12 (0.43) NPC1RAB9APRSS12PRKAA2ALDH1A1
SCHEMBL4403523 0.90 NPC1 (0.50) NPC1RAB9APRKAA2GAAPPP1CA
SCHEMBL4408267 0.86 NPC1 (0.51) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL4408271 0.85 NPC1 (0.56) NPC1RAB9APRSS12ALDH1A1GAA
SCHEMBL4403526 0.83 HPGD (0.48) NPC1RAB9APRKAA2GAAHPGD
SCHEMBL4405715 0.82 RAB9A (0.47) NPC1RAB9AALDH1A1KMT2A
SCHEMBL648784 0.81 SLC6A5 (0.45) NPC1RAB9A
SCHEMBL4408273 0.80 MAOA (0.51) NPC1RAB9APRKAA2AR
SCHEMBL648509 0.79 NPC1 (0.43) NPC1RAB9AALDH1A1ARMAPT
SCHEMBL3668144 0.79 RAB9A (0.45) NPC1RAB9AALDH1A1GAAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (4 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 4168/4885PRSS12 686/4885
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 1773/4885PRSS12 4198/4885
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 1773/4885PRSS12 4198/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS NPC1 1669/4885RAB9A 4320/4885PRSS12 950/4885

“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.