SCHEMBL22769185

SCHEMBL22769185

c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc(-c5ccc(-c6nc7ccccc7o6)cc5)n4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL13067474 1.00 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079754 0.99 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27049346 0.97 NPC1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079835 0.97 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079883 0.97 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079896 0.96 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079978 0.96 NPC1 (0.46) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079905 0.95 NPC1 (0.43) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23080017 0.93 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079842 0.93 NPC1 (0.46) NPC1RAB9AMEN1KMT2AATM

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 2 patents. 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
US-20200388791-A1 ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING CAPPING LAYER AND USE VALIANT CO., LTD. 2020-12-10 — — 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-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, EED, OCIAD2 NPC1 3199/4885RAB9A 3258/4885MEN1 4875/4885

“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.

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