SCHEMBL21453353

SCHEMBL21453353

c1ccc(-c2cc(-c3cccnc3)nc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
THPO P40225 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
USP8 P40818 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2A6 P11509 4/20 0.36

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
SCHEMBL21453355 0.88 CYP19A1 (0.43) CYP19A1DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL21453333 0.86 NPC1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL21453331 0.85 NPC1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL20689815 0.84 ALDH1A1 (0.39) CYP19A1DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL21453329 0.84 RAB9A (0.41) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21453327 0.84 CYP19A1 (0.44) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21453659 0.83 CYP19A1 (0.46) CYP19A1DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL24905082 0.83 PDK2 (0.40) CYP19A1DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL20689821 0.81 CYP3A4 (0.38) CYP19A1DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL21453357 0.79 NPC1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 CYP19A1 516/4885DHODH 3823/4885ALDH1A1 569/4885

“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.