SCHEMBL3089752

SCHEMBL3089752

C[C@@H](O)c1ccccc1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
AOC3 Q16853 3/20 0.39
LMNA P02545 2/20 0.38
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL817423 1.00 MAPT (0.43) MAPTALDH1A1GAATSHRTP53
SCHEMBL10926304 1.00 MAPT (0.43) MAPTALDH1A1GAATSHRTP53
SCHEMBL5799083 0.84 MAPT (0.45) MAPTALDH1A1GAATSHRTP53
SCHEMBL6055231 0.83 MAPT (0.41) MAPTALDH1A1GAATSHRTP53
SCHEMBL7066918 0.83 AOC3 (0.44) MAPTALDH1A1KMT2AMEN1CYP2C9
SCHEMBL3893551 0.81 MAPT (0.41) MAPTALDH1A1GAATSHRTP53
SCHEMBL5227537 0.81 GABRA1 (0.46) MAPTALDH1A1GAATSHRTP53
SCHEMBL27564004 0.80 MAPT (0.42) MAPTALDH1A1GAATSHRTP53
SCHEMBL13486824 0.79 CHEK1 (0.46) MAPTALDH1A1GAATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2866667 0.79 GABRA1 (0.44) MAPTALDH1A1GAATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 US disclosed
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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 (3 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-20150290634-A1 Catalyst and Process for Synthesising the Same CBR3, SPR, RNF5 MAPT 1869/4885ALDH1A1 2244/4885GAA 4488/4885
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C MAPT 3745/4885ALDH1A1 222/4885GAA 2362/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R MAPT 4834/4885ALDH1A1 33/4885GAA 1963/4885

“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.