SCHEMBL637824

SCHEMBL637824

C[S+]([O-])n1c(-c2ccccn2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CTSD P07339 10/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GUSB P08236 4/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL10499384 0.88 CTSD (0.49) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL3766335 0.84 BACE1 (0.43) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL27578529 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL10926518 0.77 NPC1 (0.42) KDM4EALDH1A1HSD17B10CA12CA9
SCHEMBL171844 0.76 CTSD (0.52) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL172248 0.76 CYP19A1 (0.61) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL8503831 0.75 MAPT (0.39) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL8669816 0.75 AR (0.38) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL9059034 0.73 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL13351524 0.73 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7785630-B2 Preparation and administration form comprising an acid-labile active compound NYCOMED GMBH (DE) 2010-08-31 — — US claimed
US-20160324723-A1 PHARMACEUTICAL PRODUCT FOR INJECTION TAKEDA GMBH (DE) 2016-11-10 — — US disclosed
EP-1578742-B1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS NYCOMED GMBH (DE) 2012-10-17 — — EP disclosed
US-20120083512-A1 PHARMACEUTICAL PRODUCT FOR INJECTION NYCOMED GMBH (DE) 2012-04-05 — — US disclosed
EP-1658073-B1 PHARMACEUTICAL PRODUCT FOR INJECTION NYCOMED GMBH (DE) 2012-02-22 — — EP disclosed
US-7794752-B1 Preparation and administration form comprising an acid-labile active compound NYCOMED GMBH (DE) 2010-09-14 — — US disclosed
US-7790198-B2 Preparation and administration form comprising an acid-labile active compound NYCOMED GMBH (DE) 2010-09-07 — — US disclosed
US-7785630-B2 Preparation and administration form comprising an acid-labile active compound NYCOMED GMBH (DE) 2010-08-31 — — US disclosed
US-20090318403-A1 ANTIBIOTIC COMPOSITION PROSENSA TECHNOLOGIES B.V. (NL) 2009-12-24 — — US disclosed
US-20090209591-A1 Pharmaceutical product for injection NYCOMED GMBH (DE) 2009-08-20 — — US disclosed
US-20050288334-A1 Process for preparing optically pure active compounds ALTANA PHARMA AG (DE) 2005-12-29 — — US disclosed
WO-2005118569-A1 PROCESS FOR THE PREPARATION OF PYRIDIN-2-YLMETHYLSULPHINYL-1H-BENZIMIDAZOL COMPOUNDS ALTANA PHARMA AG (DE) 2005-12-15 — — WO disclosed
WO-2005107721-A2 PHARMACEUTICAL DOSAGE FORM COMPRISING PELLETS AS WELL AS ITS MANUFACTURING PROCESS ALTANA PHARMA AG (DE) 2005-11-17 — — WO disclosed
EP-1578742-A1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS ALTANA Pharma AG (DE) 2005-09-28 — — EP disclosed
EP-1575941-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE Altana Pharma AG (DE) 2005-09-21 — — EP disclosed
EP-1187601-B1 NOVEL PREPARATION AND ADMINISTRATION FORM COMPRISING AN ACID-LABILE PROTON PUMP INHIBITOR ALTANA PHARMA AG (DE) 2005-07-27 — — EP disclosed
WO-2004089342-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXIPIENT ALTANA PHARMA AG (DE) 2004-10-21 — — WO disclosed
WO-2004052881-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE ALTANA PHARMA AG (DE) 2004-06-24 — — WO disclosed
WO-2004052882-A1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS ALTANA PHARMA AG (DE) 2004-06-24 — — WO disclosed
WO-1999027917-A1 MEDICAMENT PREPARATION IN THE FORM OF A TABLET OR PELLET FOR ACID-LABILE ACTIVE SUBSTANCES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-06-10 — — 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-20090318403-A1 ANTIBIOTIC COMPOSITION TLR5, MYD88, CUTA KDM4E 2272/4885ALDH1A1 3278/4885HPGD 4462/4885

“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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