SCHEMBL6487696

SCHEMBL6487696

Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(OCC(O)CN2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
ABCB1 P08183 8/20 0.59
SMO Q99835 2/20 0.58
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAF1 P04049 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
BRAF P15056 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK11 Q15759 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL6484472 0.92 MAPK14 (0.58) MAPK14ABCB1SMOKDM4EALDH1A1
SCHEMBL6570477 0.85 MAPK14 (0.66) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6477223 0.85 MAPK14 (0.65) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6487649 0.80 MAPK14 (0.59) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6485478 0.80 MAPK14 (0.71) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6477189 0.79 MAPK14 (0.67) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6477708 0.76 MAPK14 (0.65) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL27481605 0.76 MAPK14 (0.53) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL27559773 0.75 MAPK14 (0.52) MAPK14SMOKDM4EALDH1A1RAF1
SCHEMBL6476616 0.74 MAPK14 (0.71) MAPK14SMOKDM4EALDH1A1RAF1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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 (2 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST MAPK14 2054/4885ABCB1 792/4885SMO 4147/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 MAPK14 1638/4885ABCB1 3854/4885SMO 1208/4885

“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.