SCHEMBL2129487

SCHEMBL2129487

CCC(C)(C)/N=C(/NC#N)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 1.00
KCNJ11 Q14654 14/20 1.00
ABCC8 Q09428 8/20 1.00
KCNJ8 Q15842 8/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
KMT2A Q03164 1/20 1.00
P2RX7 Q99572 1/20 0.52
NAMPT P43490 1/20 0.49
LMNA P02545 1/20 0.49
TBXA2R P21731 3/20 0.48
TBXAS1 P24557 3/20 0.48

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
SCHEMBL2129489 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL12648389 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11162954 0.89 ABCC9 (0.80) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL6369800 0.87 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11166863 0.87 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11157791 0.82 ABCC9 (0.70) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8774811 0.81 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8747789 0.78 KMT2A (0.63) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9456841 0.78 ABCC9 (0.73) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL3701757 0.77 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US claimed
US-20120100229-A1 Treatment and Prevention of White Matter Injury with KATP Channel Activators YALE UNIVERSITY 2012-04-26 US claimed
WO-2010111518-A1 TREATMENT AND PREVENTION OF WHITE MATTER INJURY WITH KATP CHANNEL ACTIVATORS YALE UNIVERSITY (US) 2010-09-30 WO claimed
EP-1123082-B1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA SA (FR) 2006-03-01 EP claimed
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS AVENTIS PHARMA S.A. (FR) 2003-05-01 US claimed
EP-1123082-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT Aventis Pharma Deutschland GmbH (DE) 2001-08-16 EP claimed
WO-2000024366-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-05-04 WO claimed
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US disclosed
US-20120100229-A1 Treatment and Prevention of White Matter Injury with KATP Channel Activators YALE UNIVERSITY 2012-04-26 US disclosed
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2011-03-17 US disclosed
WO-2010111518-A1 TREATMENT AND PREVENTION OF WHITE MATTER INJURY WITH KATP CHANNEL ACTIVATORS YALE UNIVERSITY (US) 2010-09-30 WO disclosed
US-20090093487-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA S.A. 2009-04-09 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-6875438-B2 Preparations for topical administration of substances having antiandrogenic activity AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-05 US disclosed
EP-1501806-A1 PREPARATIONS FOR THE TOPICAL APPLICATION OF ANTI-ANDROGENICALLY ACTIVE SUBSTANCES Aventis Pharma Deutschland GmbH (DE) 2005-02-02 EP disclosed
US-20030229129-A1 Preparations for topical administration of substances having antiandrogenic activity AVENTIS PHARMA S.A. (FR) 2003-12-11 US disclosed
WO-2003093243-A1 PREPARATIONS FOR THE TOPICAL APPLICATION OF ANTI-ANDROGENICALLY ACTIVE SUBSTANCES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 WO disclosed
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS AVENTIS PHARMA S.A. (FR) 2003-05-01 US disclosed
EP-1123082-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT Aventis Pharma Deutschland GmbH (DE) 2001-08-16 EP disclosed
WO-2000024366-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-05-04 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 (6 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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 ABCC9 384/4885KCNJ11 18/4885ABCC8 415/4885
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS NR5A1, CYP17A1, CYP19A1 ABCC9 4551/4885KCNJ11 2385/4885ABCC8 4251/4885
US-20030229129-A1 Preparations for topical administration of substances having antiandrogenic activity NR5A1, CYP17A1, HSD17B11 ABCC9 2570/4885KCNJ11 2301/4885ABCC8 1810/4885
US-20090093487-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885

“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.