SCHEMBL29614816

SCHEMBL29614816

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2oc(-c3cccnc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
HSD17B10 Q99714 6/20 0.64
NPSR1 Q6W5P4 2/20 0.64
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
MAPT P10636 11/20 0.61
ALDH1A1 P00352 9/20 0.61
HPGD P15428 6/20 0.61
POLB P06746 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TP53 P04637 3/20 0.60
USP2 O75604 2/20 0.60
TSHR P16473 1/20 0.60
ESR1 P03372 1/20 0.60
PTK2B Q14289 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GLA P06280 1/20 0.59
BLM P54132 1/20 0.56
TDP1 Q9NUW8 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
SCHEMBL19307179 1.00 KDM4E (0.64) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL19307177 0.87 ALDH1A1 (0.74) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL2247024 0.85 MAPT (0.78) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL29000625 0.81 KDM4E (0.77) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL29802134 0.81 CASP3 (0.63) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL26932292 0.81 CASP3 (0.63) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL3961707 0.79 RAB9A (0.66) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL2246094 0.78 ALDH1A1 (0.78) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL30427318 0.78 KDM4E (0.75) KDM4EHSD17B10NPSR1RAB9ANPC1
SCHEMBL17544432 0.78 KDM4E (0.75) KDM4EHSD17B10NPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 KDM4E 3937/4885HSD17B10 929/4885NPSR1 947/4885

“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.