SCHEMBL555661

SCHEMBL555661

O=C1[N]N=Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CDC25B P30305 2/20 0.36
PTPRC P08575 4/20 0.35
ALDH1A1 P00352 4/20 0.35
THRB P10828 3/20 0.35
CES1 P23141 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
BCHE P06276 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
IDO1 P14902 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL29394879 0.76 GSK3B (0.40) ALOX15TDP1MEN1KMT2ACDC25B
SCHEMBL113314 0.76 GSK3B (0.40) ALOX15TDP1MEN1KMT2ACDC25B
Hydrochloric Acid SCHEMBL20475155 0.74 GSK3B (0.39) ALOX15TDP1MEN1KMT2ACDC25B
Bicarbonate SCHEMBL28385613 0.70 CA12 (0.38) ALOX15MEN1KMT2ACDC25BPTPRC
Boric Acid SCHEMBL29226665 0.70 GSK3B (0.34) ALOX15TDP1MEN1KMT2ACDC25B
SCHEMBL3707900 0.68 TRPA1 (0.46) CES1BCHEMAOAMAOB
SCHEMBL8581486 0.68 MEN1 (0.45) ALOX15TDP1MEN1KMT2ACDC25B
Trifluoroacetic Acid SCHEMBL14352289 0.67 CES1 (0.37) TDP1ALDH1A1CES1PKMHPGD
SCHEMBL3709229 0.67 PARP1 (0.36) MEN1KMT2APTPRCCES1MAPT
SCHEMBL2558 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP claimed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US claimed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
EP-0378468-B1 Derivatives of bisaryl alkenes, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-10-12 EP claimed
US-5262418-A Laxatives, gastrointestinal disorders TANSSEN PHARMACEUTICA N.V. (BE) 1993-11-16 US claimed
US-5185335-A Administer to mammals to stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1993-02-09 US claimed
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US claimed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US claimed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US claimed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 US claimed
US-4983606-A Pharmaceutically-active phthalazine compounds ZAMBON GROUP S.P.A. (IT) 1991-01-08 US claimed
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP claimed

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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK ALOX15 2109/4885TDP1 1894/4885MEN1 1333/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ALOX15 1264/4885TDP1 2193/4885MEN1 1139/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 ALOX15 319/4885TDP1 738/4885MEN1 4195/4885

“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.