SCHEMBL21453357

SCHEMBL21453357

c1ccc(-c2nc(-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5ccccc54)cc3)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 8/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CLK4 Q9HAZ1 4/20 0.40
TSHR P16473 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
LMNA P02545 4/20 0.38

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
SCHEMBL21453331 0.94 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21453333 0.92 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21453355 0.91 CYP19A1 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21454026 0.88 L3MBTL1 (0.40) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL22523916 0.87 EGLN1 (0.41) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL20689815 0.87 ALDH1A1 (0.39) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21453329 0.84 RAB9A (0.41) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21453327 0.84 CYP19A1 (0.44) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29712520 0.82 PDE6D (0.40) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL19565810 0.82 PDE6D (0.40) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E

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 NPC1 125/4885RAB9A 2351/4885ALDH1A1 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.