SCHEMBL13692557

SCHEMBL13692557

CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccco1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.81
▸ ALDH1A1 P00352 8/20 0.81
▸ KDM4E B2RXH2 7/20 0.81
▸ HPGD P15428 4/20 0.81
▸ TSHR P16473 3/20 0.81
▸ HSD17B10 Q99714 3/20 0.81
▸ SMN1; SMN2 Q16637 4/20 0.78
▸ NPSR1 Q6W5P4 3/20 0.78
▸ LMNA P02545 4/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ POLB P06746 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ MAPK1 P28482 3/20 0.64
▸ TDP1 Q9NUW8 1/20 0.63
▸ RAD52 P43351 1/20 0.57
▸ TP53 P04637 1/20 0.56

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
SCHEMBL13692556 0.93 KDM4E (0.80) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692561 0.90 MAPT (0.84) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692553 0.89 KDM4E (1.00) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692555 0.87 MAPT (1.00) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL5308184 0.84 MAPT (1.00) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692567 0.80 KDM4E (0.82) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692560 0.80 MAPT (0.79) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692640 0.79 KDM4E (1.00) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13692565 0.78 MAPT (0.70) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL13694312 0.78 MAPT (0.76) MAPTALDH1A1KDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS OLIVO PAUL D 2009-09-03 — — US disclosed
US-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS OLIVO PAUL D 2009-09-03 — — 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 (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-20090221624-A1 4-AMINOQUINOLINE COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS MAVS, EIF2AK2, SARS1 MAPT 1032/4885ALDH1A1 1687/4885KDM4E 710/4885

“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.

Send feedback