SCHEMBL2516239

SCHEMBL2516239

CCCCCc1cncc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HCAR2 Q8TDS4 2/20 0.49
POLB P06746 1/20 0.49
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2566879 0.98 RARB (0.55) RARBALDH1A1MEN1KMT2ARARA
SCHEMBL28111983 0.95 RARB (0.51) RARBALDH1A1MEN1KMT2ARARA
SCHEMBL2513768 0.85 GPR84 (0.44) RARBALDH1A1MEN1KMT2ARARA
SCHEMBL2530451 0.85 GPR84 (0.44) RARBALDH1A1MEN1KMT2ANPC1
SCHEMBL30281282 0.80 CYP2C9 (0.61) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27782228 0.80 GPR84 (0.61) RARBALDH1A1MEN1KMT2ARARA
SCHEMBL846393 0.80 CYP2C9 (0.61) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL8413501 0.80 RARB (0.61) RARBALDH1A1MEN1KMT2ARARA
Hydrochloric Acid SCHEMBL20719501 0.80 KDM4E (0.49) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL27733869 0.80 TDP1 (0.59) ALDH1A1TDP1L3MBTL1KDM4E

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-RE41008-E1 catalytic hydrogenation 5-arylnicotinic acids in presence of a palladium/ligand complex; intermediates for making N-alkylated amine; for crop protection, such as, fungicides, insecticides, herbicides or pesticides and drugs MERCK PATENT GMBH (DE) 2009-11-24 US claimed
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 EP disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-RE41008-E1 catalytic hydrogenation 5-arylnicotinic acids in presence of a palladium/ligand complex; intermediates for making N-alkylated amine; for crop protection, such as, fungicides, insecticides, herbicides or pesticides and drugs MERCK PATENT GMBH (DE) 2009-11-24 US disclosed
EP-1569907-A4 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 EP disclosed
WO-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed
US-RE39663-E1 Electron-deficient nitrogen heterocycle-substituted fluorescein dyes APPLERA CORPORATION (US) 2007-05-29 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
EP-1569907-A1 NICOTINAMIDE-BASED KINASE INHIBITORS Cytopia PTY Ltd (AU) 2005-09-07 EP disclosed
WO-2004054977-A1 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2004-07-01 WO disclosed
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
US-20030055259-A1 Method for producing 5-aryl nicotinaldehydes MERCK PATENT GMBH (DE) 2003-03-20 US disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 US disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed
US-5254776-A Synthesis of bromobiphenyls MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1993-10-19 US disclosed
US-5145930-A Star polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-08 US disclosed
US-5070183-A Hyperbranched polyarylene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-03 US disclosed
US-4857630-A Hyperbranched polyarylene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-15 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK RARB 1003/4885ALDH1A1 1092/4885MEN1 1147/4885
US-20030055259-A1 Method for producing 5-aryl nicotinaldehydes NAPRT, NOX5, NNT RARB 865/4885ALDH1A1 101/4885MEN1 1570/4885
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 RARB 2695/4885ALDH1A1 614/4885MEN1 4140/4885

“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.