SCHEMBL3380852

SCHEMBL3380852

CCOC(=O)c1cc(Cc2ccc(C)cc2)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MPO P05164 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL24131123 0.89 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL24208609 0.86 IDH1 (0.45) MAPTALDH1A1MPOKMT2AMEN1
SCHEMBL2360730 0.83 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1
SCHEMBL30391477 0.82 P2RY14 (0.43) MAPTMPOKMT2AMEN1KDM4E
SCHEMBL23336751 0.82 L3MBTL1 (0.46) ALDH1A1L3MBTL1
SCHEMBL1233249 0.81 MPO (0.49) MAPTALDH1A1LMNAMPOSMN1; SMN2
SCHEMBL7697931 0.80 MPO (0.48) MAPTALDH1A1LMNAMPOSMN1; SMN2
SCHEMBL7703560 0.79 MPO (0.47) MAPTALDH1A1LMNAMPOSMN1; SMN2
SCHEMBL6778177 0.79 MPO (0.47) MAPTALDH1A1LMNAMPOSMN1; SMN2
SCHEMBL20521730 0.79 MPO (0.47) MAPTALDH1A1LMNAMPOSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (1 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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL MAPT 4432/4885ALDH1A1 604/4885LMNA 2316/4885

“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.