SCHEMBL1203675

SCHEMBL1203675

Nc1nc(-c2nc3ccccc3s2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.62
▸ NPC1 O15118 10/20 0.57
▸ RAB9A P51151 10/20 0.57
▸ KDM4E B2RXH2 8/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ APP P05067 4/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ HSD17B10 Q99714 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53

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
SCHEMBL3954688 0.88 RAB9A (0.54) CYP19A1NPC1RAB9AKDM4EALDH1A1
Methane SCHEMBL28056221 0.80 RAB9A (0.64) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4972074 0.80 CYP19A1 (0.46) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL827403 0.78 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1MEN1
Hydrogen Sulfide SCHEMBL16859912 0.76 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1MEN1
Hydrogen Sulfide SCHEMBL28205214 0.76 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL3738535 0.76 CYP19A1 (0.58) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3073946 0.75 RAB9A (0.69) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL18830943 0.75 NPC1 (0.57) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13078668 0.74 KDM4E (0.54) CYP19A1NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036972-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2011-04-27 — — CN disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 — — US disclosed
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 — — WO disclosed
EP-1261607-B1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 — — EP disclosed
US-20060211704-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — US disclosed
US-7105550-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-12 — — US disclosed
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-30 — — 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-20060211704-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER3 CYP19A1 876/4885NPC1 1418/4885RAB9A 3507/4885
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER1 CYP19A1 986/4885NPC1 799/4885RAB9A 3677/4885

“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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