SCHEMBL413133

SCHEMBL413133

C[C@H](N)[C@H](O)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
HIF1A Q16665 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.47
ADRB1 P08588 1/20 0.44
MIF P14174 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
MGAM O43451 1/20 0.42
CHEK2 O96017 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41

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
Hydrochloric Acid SCHEMBL440306 0.98 ALDH1A1 (0.51) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL30447104 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL6263374 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL1253863 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL19688524 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL30239388 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL20023742 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
SCHEMBL28467592 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2MGAMNPSR1
Hydrochloric Acid SCHEMBL3634472 0.81 CYP1A2 (0.52) ALDH1A1CYP1A2MGAMNPSR1MAPT
SCHEMBL20030197 0.80 CYP1A2 (0.50) KDM4EALDH1A1CYP1A2MGAMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885HIF1A 2420/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885HIF1A 2420/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R KDM4E 3800/4885LMNA 4083/4885HIF1A 1039/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885HIF1A 2420/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R KDM4E 3844/4885LMNA 4042/4885HIF1A 1044/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885HIF1A 2420/4885

“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.