SCHEMBL3572976

SCHEMBL3572976

O=[N+]([O-])c1ccc2o[c]nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
GPR35 Q9HC97 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PSMB8 P28062 1/20 0.41
EGFR P00533 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL9313185 0.86 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL1607997 0.70 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL29580246 0.70 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL2420144 0.69 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL15172875 0.69 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL11443651 0.69 MEN1 (0.62) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL29362134 0.69 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL207390 0.68 LMNA (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2244450 0.68 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3
SCHEMBL10173135 0.68 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TXNRD1TXNRD3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US disclosed
US-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 EP disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 EP disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
US-4952690-A 6-substituted thia-aza compounds CIBA-GEIGY CORPORATION (US) 1990-08-28 US disclosed
US-4692442-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1987-09-08 US disclosed
US-4428958-A OXAPENICILLINS, BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-01-31 US disclosed
EP-0042026-A1 3,4-Disubstituted azetidin-2-on compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-12-23 EP disclosed
US-4265892-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
EP-0009008-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-03-19 EP disclosed
EP-0003960-A1 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-19 EP disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4067979-A Cephalosporins having an α-acyloxyacetic acid side chain CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 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 (3 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-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ RAB9A 3107/4885NPC1 1250/4885SMN1; SMN2 4740/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ RAB9A 3107/4885NPC1 1250/4885SMN1; SMN2 4740/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 RAB9A 4431/4885NPC1 3153/4885SMN1; SMN2 1968/4885

“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.