SCHEMBL412297

SCHEMBL412297

CSc1ccc([C@H](O)[C@H](C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
LMNA P02545 3/20 0.57
HIF1A Q16665 2/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2C P18825 1/20 0.57
ALDH1A1 P00352 1/20 0.55
SLC6A4 P31645 4/20 0.52
RECQL P46063 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 3/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 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
SCHEMBL441857 1.00 KDM4E (0.57) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL12101192 1.00 KDM4E (0.57) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL5140474 1.00 KDM4E (0.57) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL412304 1.00 KDM4E (0.57) KDM4ELMNAHIF1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL444253 0.98 ALDH1A1 (0.59) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL7557160 0.85 SLC6A4 (0.53) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL22559947 0.83 KDM4E (0.46) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL21588739 0.82 LMNA (0.55) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL607041 0.79 SLC6A4 (0.52) KDM4ESLC6A4TDP1MAOASLC6A2
SCHEMBL3252828 0.79 SLC6A4 (0.52) KDM4ESLC6A4TDP1MAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R KDM4E 3800/4885LMNA 4083/4885HIF1A 1039/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R KDM4E 3844/4885LMNA 4042/4885HIF1A 1044/4885

“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.