SCHEMBL382679

SCHEMBL382679

[c]1cc2ccccc2nc1-c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 3/20 0.47
AR P10275 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HSD17B10 Q99714 4/20 0.44
PKM P14618 4/20 0.44
HPGD P15428 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
PMP22 Q01453 2/20 0.44
HCRTR1 O43613 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
SCHEMBL29374931 0.76 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL170196 0.76 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL2996550 0.76 PDE10A (0.40) RAB9ANPC1CYP1A2MEN1KMT2A
SCHEMBL1434260 0.76 RAB9A (0.46) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL8637618 0.74 GSTP1 (0.40) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL16719690 0.74 METAP1 (0.45) RAB9ANPC1CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL31243061 0.74 ALDH1A1 (0.63) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL10866984 0.74 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL34463709 0.74 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL30883993 0.74 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP claimed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US claimed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US claimed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US claimed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP claimed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO claimed
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US claimed
US-4895856-A ANTISPASMODIC, PANCREATITIS, NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1990-01-23 US claimed
EP-3357904-B1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX PRECIGEN INC (US) 2022-07-06 EP disclosed
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2021-06-10 US disclosed
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2020-08-27 US disclosed
US-10633361-B2 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2020-04-28 US disclosed
US-10092537-B2 Use for PAI-1 inhibitor RENASCIENCE CO., LTD. (JP) 2018-10-09 US disclosed
EP-3357904-A1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX Intrexon Corporation (US) 2018-08-08 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US disclosed
US-6660408-B1 Having diarylamino substituted diaryl, triaryl or tetraaryl light emitting, electron transporting material; high performance and luminance NEC CORPORATION (JP) 2003-12-09 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (8 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-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885CYP3A4 3041/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 RAB9A 1478/4885NPC1 122/4885CYP3A4 341/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 RAB9A 1478/4885NPC1 122/4885CYP3A4 341/4885
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B RAB9A 1193/4885NPC1 1817/4885CYP3A4 4269/4885
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 RAB9A 4537/4885NPC1 2592/4885CYP3A4 2691/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 RAB9A 2814/4885NPC1 1925/4885CYP3A4 3946/4885
US-10633361-B2 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, CRYZ, TCF12 RAB9A 4537/4885NPC1 2592/4885CYP3A4 2691/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 RAB9A 1258/4885NPC1 86/4885CYP3A4 500/4885

“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.