SCHEMBL1627092

SCHEMBL1627092

CC(C)(C(=O)Cl)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SSTR4 P31391 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38
CASR P41180 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PDE2A O00408 1/20 0.37
CYP3A4 P08684 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1626481 0.84 AKR1C3 (0.51) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL602699 0.84 TSHR (0.48) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL8443184 0.82 KMT2A (0.52) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL9577430 0.81 TSHR (0.45) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL11673202 0.80 KMT2A (0.44) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL30443832 0.79 TSHR (0.44) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL1627157 0.79 CNR1 (0.51) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL10227960 0.78 TSHR (0.42) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL30730263 0.78 HDAC3 (0.45) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL604852 0.78 TSHR (0.42) TSHRSSTR4HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN TSHR 4328/4885SSTR4 4246/4885HDAC3 706/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN TSHR 4328/4885SSTR4 4246/4885HDAC3 706/4885

“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.