SCHEMBL21396929

SCHEMBL21396929

c1ccc2c(c1)c1ccccc1n2Cc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.70
P2RX4 Q99571 2/20 0.56
CNR2 P34972 1/20 0.56
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC10 Q969S8 1/20 0.50
KCNK13 Q9HB14 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL13957035 0.85 CYP19A1 (0.86) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL2216252 0.84 CYP19A1 (0.70) CYP19A1P2RX4MAOAMAOBHDAC6
SCHEMBL151053 0.83 CYP19A1 (1.00) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL30007452 0.83 CYP19A1 (1.00) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL13866635 0.81 MAOA (0.60) CYP19A1P2RX4MAOAMAOBHDAC6
Bromide SCHEMBL28888744 0.81 CYP19A1 (0.95) CYP19A1P2RX4HDAC6HDAC1HDAC10
Ammonia Solution, Strong SCHEMBL29210102 0.81 CYP19A1 (0.95) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL9398256 0.81 CYP19A1 (0.95) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL25382673 0.79 HDAC6 (0.57) CYP19A1MAOAMAOBHDAC6HDAC1
SCHEMBL1716066 0.79 MIF (0.51) CYP19A1P2RX4CNR2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP19A1 1852/4885P2RX4 641/4885CNR2 3596/4885

“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.