SCHEMBL7937526

SCHEMBL7937526

O=c1cc(Oc2cccc(-c3cccc(NCc4cccnc4)c3)c2)c2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.46
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2D6 P10635 10/20 0.43
CYP2C19 P33261 9/20 0.43
CLK4 Q9HAZ1 5/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 4/20 0.43
USP2 O75604 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL3214639 0.94 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13429246 0.94 EPHX1 (0.48) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL3222698 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL3220447 0.85 PTK6 (0.41) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL3202341 0.84 HPGD (0.47) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13429262 0.83 F2 (0.46) KDM4ERAB9ASMN1; SMN2LMNAMEN1
SCHEMBL13429248 0.83 EPHX1 (0.45) EPHX1MEN1KMT2AGAA
SCHEMBL3219003 0.83 BRAF (0.48) KDM4EMEN1KMT2AGAA
SCHEMBL3213960 0.81 MEN1 (0.40) MEN1KMT2AGAA
SCHEMBL13429368 0.79 MEN1 (0.42) MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ALDH1A1 2884/4885KDM4E 728/4885HPGD 2472/4885

“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.