SCHEMBL3001426

SCHEMBL3001426

CCOC(=O)c1coc(-c2ccc3c(c2)C(=O)CCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.49
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAOA P21397 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
SCHEMBL3001737 0.83 BCL2L1 (0.55) BCL2L1BRD4ALDH1A1MAOAMAOB
SCHEMBL3001743 0.79 RAB9A (0.60) NPC1RAB9AATMCASP3SENP8
SCHEMBL15540789 0.76 NPC1 (0.66) NLRP3NPC1RAB9AATMCASP3
SCHEMBL26315180 0.75 HDAC1 (0.61) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17055675 0.74 HSD17B10 (0.57) NPC1RAB9ACYP1A2CYP2C9KDM4E
SCHEMBL1513323 0.74 GALR1 (0.48) NPC1RAB9AATMCASP3SENP8
SCHEMBL3070077 0.74 PDE4B (0.53) CYP1A2ALDH1A1APLNRHDAC1HDAC8
SCHEMBL4280780 0.74 S1PR1 (0.50) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1931403 0.74 ACR (0.45) NLRP3NPC1RAB9ANR1H4CYP1A2
SCHEMBL24339961 0.73 ELANE (0.53) NPC1RAB9ACYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 — — EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 — — 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 (1 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX NLRP3 2776/4885NPC1 2743/4885RAB9A 3879/4885

“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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