SCHEMBL6227373

SCHEMBL6227373

O=C(Nc1nc2ccccc2s1)c1ccno1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.62
▸ NPC1 O15118 7/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ CASP3 P42574 5/20 0.57
▸ SENP8 Q96LD8 5/20 0.57
▸ SENP7 Q9BQF6 5/20 0.57
▸ SENP6 Q9GZR1 5/20 0.57
▸ SCD O00767 3/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ CSNK2A2 P19784 1/20 0.57
▸ CSNK2B P67870 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.57

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
SCHEMBL3049831 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19270384 0.78 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5732234 0.77 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3053529 0.77 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2245324 0.76 CSNK2A2 (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6226995 0.76 NPC1 (0.81) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6229312 0.76 NPC1 (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19253628 0.76 ABL1 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL32674581 0.76 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27634788 0.76 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
EP-1599468-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA Arena Pharmaceuticals, Inc. (US) 2005-11-30 — — EP claimed
WO-2004065380-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARMACEUTICALS INC. (US) 2004-08-05 — — WO claimed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 — — US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 — — US disclosed
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2022-08-23 — — US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 — — WO disclosed
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-17 — — US disclosed
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2020-12-03 — — US disclosed
EP-1599468-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA Arena Pharmaceuticals, Inc. (US) 2005-11-30 — — EP disclosed
WO-2004065380-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARMACEUTICALS INC. (US) 2004-08-05 — — WO 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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 RAB9A 3504/4885NPC1 2133/4885SMN1; SMN2 4696/4885
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder TNF, MSR1, GRN RAB9A 2595/4885NPC1 1571/4885SMN1; SMN2 1011/4885
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN RAB9A 2595/4885NPC1 1571/4885SMN1; SMN2 1011/4885
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN RAB9A 2595/4885NPC1 1571/4885SMN1; SMN2 1011/4885

“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.

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