SCHEMBL19699896

SCHEMBL19699896

c1ccc(Cn2cc(-c3cccc(Oc4cccc(-c5cn(Cc6ccccc6)nn5)c4)c3)nn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.70
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
GSK3B P49841 4/20 0.59
FLT3 P36888 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GPR55 Q9Y2T6 1/20 0.57
CD74 P04233 1/20 0.56
MIF P14174 1/20 0.56
ROCK2 O75116 4/20 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
SCHEMBL12022166 0.88 CYP19A1 (0.84) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL19708172 0.84 CYP19A1 (0.77) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL79086 0.84 HDAC3 (0.61) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL935182 0.83 CYP19A1 (1.00) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL28585573 0.83 CYP19A1 (0.74) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL30991876 0.82 CD74 (0.81) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL29275461 0.82 CD74 (0.81) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL16050564 0.82 CYP19A1 (0.72) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL12037700 0.82 CYP19A1 (0.68) CYP19A1GSK3BFLT3NPC1RAB9A
SCHEMBL29352717 0.82 CYP19A1 (0.72) CYP19A1HDAC3HDAC1HDAC2HDAC10

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
US-10461266-B2 Luminescent compounds and methods of using same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2019-10-29 US disclosed
US-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 US disclosed
US-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 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 (2 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-20170358761-A1 Luminescent Compounds and Methods of Using Same CRY2, CYBA, TYR CYP19A1 1582/4885HDAC3 3343/4885HDAC1 2390/4885
US-10461266-B2 Luminescent compounds and methods of using same CRY2, CYBA, TYR CYP19A1 1582/4885HDAC3 3343/4885HDAC1 2390/4885

“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.