Sugi Predict

Sugi Predict / Compounds / SCHEMBL4891906

SCHEMBL4891906

SCHEMBL4891906

c1ccc2[nH]c(-c3ccsc3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ SENP8 Q96LD8 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54
▸ SENP6 Q9GZR1 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47

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
SCHEMBL5053299 0.78 NPC1 (0.87) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL28609169 0.77 TNKS (0.51) NPC1RAB9AKDM4EMAPTCASP3
SCHEMBL3428004 0.77 CDK5 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
2-Phenyl-1H-Indole SCHEMBL341378 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL28416625 0.77 NPC1 (0.83) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL29363616 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL4568266 0.76 CDK5 (0.43) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL374022 0.76 RAB9A (0.74) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL29631691 0.76 RAB9A (0.74) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL8304969 0.75 NPC1 (0.80) NPC1RAB9AKDM4EMAPTMEN1

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
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 — — CN claimed
CN-106946808-A The synthetic method of benzo [1,3,5] triazole octanone derivative 苏州大学 2017-07-14 — — CN claimed
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 — — CN disclosed
CN-106946808-A The synthetic method of benzo [1,3,5] triazole octanone derivative 苏州大学 2017-07-14 — — CN disclosed
WO-2011121629-A1 INDOLIC DERIVATIVES AND USE THEREOF IN MEDICAL FIELD UNIVERSITA' DEGLI STUDI DL ROMA "LA SAPIENZA" (IT) 2011-10-06 — — WO disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 — — EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 — — 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN NPC1 1583/4885RAB9A 444/4885KDM4E 3829/4885

“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.