Sugi Predict

Sugi Predict / Compounds / SCHEMBL618972

SCHEMBL618972

SCHEMBL618972

Brc1cnc2nc(SCc3ccccc3)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.77
▸ POLB P06746 4/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ NPSR1 Q6W5P4 2/20 0.77
▸ CTDSP1 Q9GZU7 1/20 0.77
▸ RAB9A P51151 5/20 0.70
▸ NPC1 O15118 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ PPARG P37231 1/20 0.70
▸ NCOA2 Q15596 1/20 0.70
▸ NCOA1 Q15788 1/20 0.70
▸ NCOA3 Q9Y6Q9 1/20 0.70
▸ PKM P14618 1/20 0.68
▸ MAPT P10636 3/20 0.66
▸ ATM Q13315 2/20 0.66
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TP53 P04637 3/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54

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
SCHEMBL11356169 0.78 TP53 (0.66) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL4060448 0.76 ALDH1A1 (0.58) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL4055037 0.76 TDP1 (0.65) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL4051158 0.75 ALDH1A1 (0.57) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL5226420 0.72 NPC1 (0.50) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL620698 0.72 NPC1 (0.50) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL4053179 0.72 ALDH1A1 (0.54) HPGDPOLBTDP1NPSR1CTDSP1
SCHEMBL1667430 0.71 AURKA (0.68) HPGDTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL31325504 0.70 RAB9A (1.00) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL2949736 0.70 RAB9A (1.00) HPGDNPSR1RAB9ANPC1SMN1; 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2015-11-05 — — US disclosed
US-9107915-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2015-08-18 — — US disclosed
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2014-09-25 — — US disclosed
US-8778978-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2014-07-15 — — US disclosed
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2014-02-06 — — US disclosed
US-8580826-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2013-11-12 — — US disclosed
EP-2371818-B1 Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2012-12-26 — — EP disclosed
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MUNOZ JULIO A (US) 2012-02-16 — — US disclosed
US-8053451-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2011-11-08 — — US disclosed
EP-2371818-A1 Hydroxybenzoate salts of metanicotine compounds Targacept, Inc. (US) 2011-10-05 — — EP disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 — — WO disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 — — US disclosed
US-6432954-B1 CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-13 — — US disclosed
EP-1225955-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-07-31 — — EP disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 — — US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 — — EP disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 — — WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 — — WO disclosed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 — — WO disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 — — 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 (5 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-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 HPGD 171/4885POLB 1816/4885TDP1 2098/4885
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT HPGD 1651/4885POLB 297/4885TDP1 1851/4885
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT HPGD 1632/4885POLB 305/4885TDP1 1816/4885
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT HPGD 1632/4885POLB 305/4885TDP1 1816/4885
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT HPGD 1651/4885POLB 297/4885TDP1 1851/4885

“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.