Sugi Predict

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SCHEMBL20157375

SCHEMBL20157375

COc1ccc(C(=O)c2ccc(F)cc2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ MAPT P10636 5/20 0.45
▸ HTT P42858 5/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ PGR P06401 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
SCHEMBL20157840 0.90 HTT (0.48) NPC1MAPTHTTNPSR1KMT2A
SCHEMBL20157806 0.89 HTT (0.49) NPC1MAPTHTTNPSR1KMT2A
SCHEMBL21351876 0.82 CXCR2 (0.38) MAPTSMN1; SMN2LMNATHRB
SCHEMBL20158006 0.82 HTT (0.39) NPC1MAPTHTTNPSR1RAB9A
SCHEMBL2824939 0.79 KDM4E (0.46) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL20157598 0.79 MAPT (0.52) NPC1MAPTHTTNPSR1KMT2A
SCHEMBL18125724 0.78 POLB (0.59) NPC1MAPTHTTNPSR1KMT2A
SCHEMBL29582110 0.78 POLB (0.59) NPC1MAPTHTTNPSR1KMT2A
SCHEMBL20157565 0.78 LMNA (0.43) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL21362596 0.77 LPL (0.42) ALDH1A1LMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 — — US disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 — — US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 — — EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 — — WO 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 NPC1 698/4885MAPT 237/4885HTT 1073/4885

“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.