SCHEMBL1270548

SCHEMBL1270548

O=[N+]([O-])c1ccccc1N[C]=S

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CASP7 P55210 1/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 9/20 0.49
GAA P10253 3/20 0.49
PKM P14618 1/20 0.49
KAT2B Q92831 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KCNMA1 Q12791 1/20 0.45
POLB P06746 1/20 0.44
PHGDH O43175 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL513737 0.82 MAPK1 (0.56) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL27596383 0.81 ALDH1A1 (0.43) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL397773 0.77 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL9781715 0.76 KAT2B (0.64) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL29516821 0.76 KAT2B (0.64) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL373368 0.74 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL950729 0.74 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL973213 0.74 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL4793372 0.74 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL856759 0.74 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 US disclosed
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
WO-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
WO-2008052072-A9 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARM INC (US) 2008-07-10 WO disclosed
WO-2008064136-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-05-29 WO disclosed
WO-2008052072-A2 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2008-05-02 WO disclosed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP disclosed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 US disclosed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 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 (4 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-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 MAPK1 188/4885L3MBTL1 4866/4885ALDH1A1 3205/4885
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A MAPK1 2084/4885L3MBTL1 3948/4885ALDH1A1 201/4885
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 MAPK1 4375/4885L3MBTL1 3764/4885ALDH1A1 634/4885
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 MAPK1 2601/4885L3MBTL1 4240/4885ALDH1A1 2124/4885

“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.