SCHEMBL5160670

SCHEMBL5160670

CNC(=O)CC(=O)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 4/20 0.60
▸ PLOD3 O60568 3/20 0.60
▸ PLOD1 Q02809 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.48
▸ MPO P05164 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 2/20 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
SCHEMBL10948430 0.83 PLOD2 (0.83) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL19465019 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL5161052 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL2008122 0.80 CYP1A2 (0.64) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL27908332 0.79 PLOD2 (0.55) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL1200149 0.79 KMT2A (0.67) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL3108729 0.79 PLOD2 (0.64) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL5162475 0.78 PLOD2 (0.67) PLOD2PLOD3PLOD1ALDH1A1HIF1A
SCHEMBL1201297 0.78 KMT2A (0.62) ALDH1A1HPGDKDM4ETP53L3MBTL1
SCHEMBL28972977 0.78 PLOD2 (0.62) PLOD2PLOD3PLOD1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 — — EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 — — US disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 — — US disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 — — US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 — — US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 — — US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 — — EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 — — US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 — — EP 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 PLOD2 2690/4885PLOD3 1289/4885PLOD1 2807/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO PLOD2 1169/4885PLOD3 3951/4885PLOD1 1574/4885

“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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