SCHEMBL23079988

SCHEMBL23079988

c1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ ATM Q13315 1/20 0.59
▸ HPGD P15428 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPT P10636 3/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ SENP6 Q9GZR1 2/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL23079708 1.00 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL18308629 0.93 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25304177 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25896290 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25896084 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25895424 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079772 0.90 ALDH1A1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL22769184 0.90 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21674266 0.90 NPC1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13067479 0.89 NPC1 (0.72) 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 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 3199/4885RAB9A 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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