SCHEMBL3222698

SCHEMBL3222698

O=c1cc(Oc2cccc(NCc3ccc(-c4cccnc4)cc3)c2)c2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
HDAC1 Q13547 1/20 0.42
USP1 O94782 6/20 0.41
WDR48 Q8TAF3 6/20 0.41
PDE4B Q07343 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
GRK2 P25098 1/20 0.38
SMPD1 P17405 1/20 0.38
CYP1A2 P05177 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
SCHEMBL3214639 0.90 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL7937526 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13429246 0.87 EPHX1 (0.48) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13429262 0.86 F2 (0.46) KDM4ERAB9ASMN1; SMN2MEN1GAA
SCHEMBL3219003 0.84 BRAF (0.48) KDM4EMEN1GAAKMT2A
SCHEMBL13429248 0.84 EPHX1 (0.45) HDAC1MEN1GAAKMT2AGRK2
SCHEMBL3202341 0.83 HPGD (0.47) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL3220447 0.82 PTK6 (0.41) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13429115 0.82 HPGD (0.51) ALDH1A1KDM4EHPGDNPC1HTT
SCHEMBL13428999 0.81 CACNA1B (0.50) MEN1GAAKMT2A

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-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 claimed
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
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.