Sugi Predict

Sugi Predict / Compounds / SCHEMBL8325083

SCHEMBL8325083

SCHEMBL8325083

CNC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.71
▸ NPC1 O15118 8/20 0.71
▸ MAPT P10636 3/20 0.71
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ CA2 P00918 2/20 0.58
▸ EPHX1 P07099 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55

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
SCHEMBL9547503 0.88 RAB9A (0.89) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11211518 0.84 MEN1 (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4548633 0.84 IMPDH2 (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30697002 0.83 MAPT (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11049543 0.83 MAPT (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL28145171 0.82 ALDH1A1 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8596702 0.81 RAB9A (0.71) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL23259429 0.81 ENPP2 (0.53) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1176635 0.81 MEN1 (0.69) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL19020205 0.81 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 — — US claimed
CN-106572659-B Harmful arthropod agent for preventing and eliminating containing amide compound 住友化学株式会社 2019-05-10 — — CN disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US disclosed
WO-2016131380-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) 2016-08-25 — — WO disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — 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 (2 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-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS RAB9A 2677/4885NPC1 3288/4885MAPT 4679/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS RAB9A 2677/4885NPC1 3288/4885MAPT 4679/4885

“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.