Sugi Predict

Sugi Predict / Compounds / SCHEMBL20158076

SCHEMBL20158076

SCHEMBL20158076

Cc1ccc(C(O)c2ccncc2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CRHR1 P34998 2/20 0.33

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
SCHEMBL11859495 0.83 MLKL (0.45) KMT2AL3MBTL1LMNATRPA1CHRM1
SCHEMBL21362648 0.80 ACHE (0.39) POLBKMT2ABRD4LMNATRPA1
SCHEMBL7404104 0.80 PDE4B (0.40) KMT2ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL21550102 0.77 NPC1 (0.39) POLBKMT2AL3MBTL1CYP3A4SLC6A2
SCHEMBL23882867 0.75 CYP3A4 (0.43) KMT2ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL30251473 0.75 CYP3A4 (0.43) KMT2ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL23882860 0.75 CYP3A4 (0.43) KMT2ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL8737044 0.74 CYP19A1 (0.59) KMT2ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL28493300 0.72 LMNA (0.47) KMT2AL3MBTL1LMNATRPA1CHRM1
SCHEMBL2474757 0.72 LMNA (0.47) KMT2AL3MBTL1LMNATRPA1CHRM1

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 5 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
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 POLB 1116/4885KMT2A 1082/4885L3MBTL1 873/4885

“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.