SCHEMBL4815082

SCHEMBL4815082

NC(=O)c1ccc2nc3c(cc2c1)COc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 12/20 0.47
KDM4E B2RXH2 12/20 0.47
HPGD P15428 8/20 0.47
GAA P10253 3/20 0.47
RCE1 Q9Y256 1/20 0.47
RECQL P46063 1/20 0.44
MAPK1 P28482 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
PKM P14618 3/20 0.41
CYP2C19 P33261 3/20 0.41
KMT2A Q03164 3/20 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
SCHEMBL29615690 0.79 KDM4E (0.61) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4445353 0.79 KDM4E (0.61) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4439788 0.78 NOTUM (0.40) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL23461644 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL14811998 0.74 MAPT (0.50) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4814056 0.74 RAB9A (0.46) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL10971153 0.73 MAPK14 (0.55) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL10921971 0.71 MAPT (0.65) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL29519324 0.68 MAPT (0.54) MAPTALDH1A1HPGDRECQLL3MBTL1
SCHEMBL27418511 0.68 MAPT (0.54) MAPTALDH1A1HPGDRECQLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885KDM4E 4502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885KDM4E 4502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885KDM4E 4502/4885

“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.