SCHEMBL17985011

SCHEMBL17985011

O=C(Cc1ccccn1)c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HTT P42858 2/20 0.49
IDO1 P14902 1/20 0.49
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPRA P18433 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 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
Iodide SCHEMBL6263376 0.98 KDM4E (0.59) KDM4EMAPTRAB9ANPC1HTT
SCHEMBL2546358 0.84 MAPT (0.70) KDM4EMAPTRAB9ANPC1HTT
SCHEMBL1733676 0.83 CYP19A1 (0.55) KDM4EMAPTHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL3452522 0.81 RAB9A (0.62) KDM4EMAPTRAB9ANPC1IDO1
SCHEMBL15942043 0.81 RAB9A (0.54) KDM4EMAPTRAB9ANPC1HTT
SCHEMBL7981204 0.81 CTNNB1 (0.60) KDM4EMAPTRAB9ANPC1IDO1
SCHEMBL3452459 0.81 RAB9A (0.62) KDM4EMAPTRAB9ANPC1IDO1
SCHEMBL27332292 0.80 NAPRT (0.54) KDM4EMAPTRAB9ANPC1HTT
SCHEMBL11623530 0.79 RAB9A (0.51) KDM4EMAPTRAB9ANPC1HTT
SCHEMBL8804574 0.78 RAB9A (0.50) KDM4EMAPTRAB9ANPC1IDO1

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-9573921-B2 Substituted N, N-dimethylaminoalkyl ethers of isoflavanone oximes as H1-receptor antagonists POLFARMEX S.A. (PL) 2017-02-21 US disclosed
US-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS POLFARMEX S.A. (PL) 2016-08-18 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-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS HRH4, HRH1, HRH3 KDM4E 2296/4885MAPT 4765/4885RAB9A 3379/4885

“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.