SCHEMBL21453355

SCHEMBL21453355

c1ccc(-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5ccccc54)cc3)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NTSR1 P30989 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL20689815 0.93 ALDH1A1 (0.39) CYP19A1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL21453357 0.91 NPC1 (0.43) RAB9ANPC1CYP3A4CYP2C9ALDH1A1
SCHEMBL21453329 0.91 RAB9A (0.41) CYP19A1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL20689821 0.90 CYP3A4 (0.38) CYP19A1RAB9ACYP3A4CYP2C9ALDH1A1
SCHEMBL21453327 0.88 CYP19A1 (0.44) CYP19A1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL21453353 0.88 CYP19A1 (0.46) CYP19A1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL20689992 0.87 MEN1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL20689816 0.87 CYP3A4 (0.37) CYP19A1CYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL20689993 0.87 KMT2A (0.41) RAB9ANPC1CYP3A4CYP2C9ALDH1A1
SCHEMBL21453333 0.86 NPC1 (0.43) RAB9ANPC1CYP3A4CYP2C9ALDH1A1

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 516/4885RAB9A 2351/4885NPC1 125/4885

“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.