SCHEMBL6495159

SCHEMBL6495159

COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(N)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
SMO Q99835 2/20 0.51
ALOX15 P16050 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHEK1 O14757 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL6503173 0.82 RAB9A (0.58) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL6496744 0.82 KMT2A (0.51) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL6495427 0.81 ALDH1A1 (0.48) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL6504212 0.81 ALDH1A1 (0.48) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL30770801 0.80 RAB9A (0.67) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL10796083 0.80 RAB9A (0.67) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL6501944 0.80 CA1 (0.55) MAPTSMOALOX15ALDH1A1SMN1; SMN2
SCHEMBL6494681 0.79 SMO (0.54) RAB9AKDM4EMAPTNPC1CASP3
SCHEMBL3050807 0.78 KMT2A (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6505453 0.77 SMO (0.50) MAPTSMOALOX15ALDH1A1SMN1; SMN2

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
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
US-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases DIANA GUY D 2005-12-29 US disclosed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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 (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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 RAB9A 4162/4885KDM4E 881/4885MAPT 4865/4885
US-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases MAVS, HAVCR2, ZC3HAV1 RAB9A 1478/4885KDM4E 3307/4885MAPT 2744/4885

“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.