SCHEMBL224101

SCHEMBL224101

S=C(S)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 5/20 0.61
PKM P14618 4/20 0.61
NPSR1 Q6W5P4 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 3/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MIF P14174 1/20 0.53
ALOX12 P18054 2/20 0.51

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
SCHEMBL11359764 0.87 RAB9A (0.49) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL2682040 0.83 RAB9A (0.71) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL11327867 0.83 RAB9A (0.66) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL8916188 0.81 RAB9A (0.63) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL1467809 0.79 RAB9A (0.61) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL9028468 0.79 RAB9A (0.70) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL4021933 0.79 NPC1 (0.59) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL525427 0.79 RAB9A (0.61) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL5805584 0.79 RAB9A (0.61) RAB9ANPC1ALDH1A1PKMNPSR1
SCHEMBL29399796 0.79 RAB9A (0.61) RAB9ANPC1ALDH1A1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389395-B1 RAFT POLYMERISATION COMMW SCIENT IND RES ORG (AU) 2017-03-29 EP disclosed
US-9340498-B2 Raft polymerisation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESERACH ORGANISATION (AU) 2016-05-17 US disclosed
US-20120004381-A1 RAFT POLYMERISATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-01-05 US disclosed
EP-2389395-A1 RAFT POLYMERISATION Commonwealth Scientific and Industrial Research Organisation (AU) 2011-11-30 EP disclosed
US-20110256644-A1 MASKS FOR MICROLITHOGRAPHY AND METHODS OF MAKING AND USING SUCH MASKS MICRON TECHNOLOGY, INC. (US) 2011-10-20 US disclosed
WO-2010083569-A1 RAFT POLYMERISATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-07-29 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed
US-5563160-A NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-10-08 US disclosed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP disclosed
EP-0660823-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-07-05 EP disclosed
US-4975443-A Fungicidal pyridyl iminocarbonates ICI AMERICAS INC. (US) 1990-12-04 US disclosed
EP-0314430-A2 Fungicidal pyridyl iminocarbonates ICI AMERICAS INC. (US) 1989-05-03 EP disclosed
US-4824854-A PREVENTIVE, CURATIVE ICI AMERICAS INC. (US) 1989-04-25 US disclosed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 US disclosed
US-4271167-A ANTHELMINTICS RHONE-POULENC INDUSTRIES (FR) 1981-06-02 US disclosed
US-4167571-A Thiazoline derivatives RHONE-POULENC INDUSTRIES (FR) 1979-09-11 US disclosed
US-4039550-A ANTHELMINTIC AGENTS STERLING DRUG INC. (US) 1977-08-02 US disclosed
US-4009279-A 2-IMINO-1,3-DITHIETANES AMERICAN CYANAMID COMPANY (US) 1977-02-22 US disclosed
US-3997668-A INSECTICIDES, MITICIDE AMERICAN CYANAMID COMPANY (US) 1976-12-14 US disclosed
US-3975528-A Insecticidal 2-imino-1,3-dithietane derivatives AMERICAN CYANAMID COMPANY (US) 1976-08-17 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 (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-20120004381-A1 RAFT POLYMERISATION OXGR1, FRG1, MSR1 RAB9A 3808/4885NPC1 340/4885ALDH1A1 1653/4885

“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.