SCHEMBL13820288

SCHEMBL13820288

CCOC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.59
▸ ATM Q13315 3/20 0.58
▸ USP2 O75604 2/20 0.58
▸ CFTR P13569 1/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ GOPC Q9HD26 1/20 0.58
▸ MAOB P27338 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 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
SCHEMBL10040697 0.92 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL14219787 0.90 ABCB1 (0.55) ABCB1ATMUSP2CFTRPAX8
SCHEMBL12949260 0.90 ABCB1 (0.54) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13179036 0.89 ABCB1 (0.56) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13989007 0.88 MAOB (0.46) ABCB1ATMUSP2CFTRPAX8
SCHEMBL22851948 0.86 MAOB (0.45) ABCB1ATMUSP2CFTRPAX8
SCHEMBL10298327 0.86 USP2 (0.58) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13820277 0.86 ABCB1 (0.54) ABCB1ATMUSP2CFTRPAX8
Hydrochloric Acid SCHEMBL23064866 0.86 USP2 (0.57) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20042562 0.86 ABCB1 (0.80) ABCB1ATMUSP2CFTRPAX8

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-8962339-B2 Fluorescent probe compounds, preparation method and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-02-24 — — US disclosed
US-8962339-B2 Fluorescent probe compounds, preparation method and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-02-24 — — US disclosed
US-8664406-B2 Fluorescent probe compounds, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2014-03-04 — — US disclosed
US-8664406-B2 Fluorescent probe compounds, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2014-03-04 — — US disclosed
US-20130137879-A1 FLUORESCENT PROBE COMPOUNDS, PREPARATION METHOD AND USE THEREOF DALIAN CHRPMAS BIOSCIENCE CO., LTD. (CN) 2013-05-30 — — US disclosed
US-20130137879-A1 FLUORESCENT PROBE COMPOUNDS, PREPARATION METHOD AND USE THEREOF DALIAN CHRPMAS BIOSCIENCE CO., LTD. (CN) 2013-05-30 — — US disclosed
US-20120288947-A1 FLUORESCENT PROBE COMPOUNDS, PREPARATION METHOD AND APPLICATION THEREOF DALIAN CHROMAS BIOSCIENCE CO., LTD (CN) 2012-11-15 — — 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-20120288947-A1 FLUORESCENT PROBE COMPOUNDS, PREPARATION METHOD AND APPLICATION THEREOF PDCD1LG2, PDCD1, CD274 ABCB1 494/4885ATM 2455/4885USP2 1615/4885

“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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