SCHEMBL23079778

SCHEMBL23079778

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.61
SMN1; SMN2 Q16637 11/20 0.61
HSD17B10 Q99714 10/20 0.61
RAB9A P51151 10/20 0.61
ALDH1A1 P00352 10/20 0.61
KDM4E B2RXH2 10/20 0.61
HPGD P15428 9/20 0.61
TP53 P04637 8/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
HCRTR1 O43613 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL23079601 1.00 NPC1 (0.61) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079767 0.92 NPC1 (0.64) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079707 0.92 NPC1 (0.64) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079675 0.91 NPC1 (0.69) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079766 0.90 RAB9A (0.58) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079926 0.90 RAB9A (0.56) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079779 0.90 NPC1 (0.57) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079674 0.90 NPC1 (0.57) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL26540303 0.90 KDM4E (0.71) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL23079705 0.88 NPC1 (0.69) NPC1SMN1; SMN2HSD17B10RAB9AALDH1A1

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-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2021-03-11 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-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, EED, OCIAD2 NPC1 3199/4885SMN1; SMN2 4531/4885HSD17B10 2239/4885

“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.