SCHEMBL1472894

SCHEMBL1472894

C=C[CH]c1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
KDM4E B2RXH2 7/20 0.53
LMNA P02545 6/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ECE2 P0DPD6 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL108424 0.83 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL29429975 0.83 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.78 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL524926 0.78 RAB9A (0.61) RAB9ANPC1KDM4ELMNAPKM
Phenanthrene SCHEMBL28773691 0.76 NPC1 (0.50) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL6852547 0.75 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
Formaldehyde SCHEMBL2137330 0.75 NPC1 (0.53) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL6851972 0.75 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
Formamide SCHEMBL9732751 0.75 NPC1 (0.49) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL1163637 0.74 NPC1 (0.62) RAB9ANPC1KDM4ELMNAPKM

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
US-7071199-B1 Kinase inhibitors as therapeutic agents ABBOTT GMBH & CCO. KG (DE) 2006-07-04 US claimed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US claimed
EP-1912948-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-09-09 EP disclosed
US-7915292-B2 2-{benzyl-[(6-methyl-2-phenyl-quinolin-3-yl)-phenyl-methyl]-amino}-N-(4-methyl-piperazin-1-yl)-acetamide; tuberculosis; antimycobacterial drugs; a tertiary nitrogen atom in the alpha position in the side chain attached to the 3-position of the quinoline nucleus to get fewer enantiomers possible JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
EP-1912948-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-7276487-B2 9a, 11-3C-bicyclic 9a-azalide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
WO-2007014885-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
US-20050090460-A1 9a,11-3C-bicyclic 9a-azalide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2005-04-28 US disclosed
WO-2005030227-A1 9a, 11-3C-BICYCLIC 9a-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-6660718-B1 Grampositive bacteria MEIJI SEIKA KAISHA, LTD. (JP) 2003-12-09 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
EP-1191031-A1 3-MODIFIED LEUCOMYCIN DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-03-27 EP 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-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES CYP3A7, CYP2C8, CYP51A1 RAB9A 473/4885NPC1 364/4885KDM4E 224/4885
US-20080182855-A1 Antibacterial Quinoline Derivatives NDUFB5, NQO2, MT-ND5 RAB9A 950/4885NPC1 1076/4885KDM4E 4086/4885
US-20050090460-A1 9a,11-3C-bicyclic 9a-azalide derivatives CYP2C9, CYP2C19, UGT1A9 RAB9A 126/4885NPC1 332/4885KDM4E 117/4885

“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.