SCHEMBL2910709

SCHEMBL2910709

COc1ccc(C(C)(N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
AOC3 Q16853 1/20 0.45

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
SCHEMBL3492765 1.00 MAPT (0.50) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL3491598 1.00 MAPT (0.50) MAPTMAPK1HSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1971295 0.98 MAPT (0.49) MAPTMAPK1HSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1971292 0.98 MAPT (0.49) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL11884018 0.84 KDM4E (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL1968658 0.83 MAPT (0.53) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL1969077 0.83 MAPT (0.53) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL16579071 0.80 KMT2A (0.53) MAPK1ALDH1A1LMNAPARP10CYP1A2
SCHEMBL7358417 0.80 MAPT (0.53) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL1939457 0.80 AKR1C3 (0.54) MAPTMAPK1HSD17B10ALDH1A1LMNA

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-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2026799-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH Galapagos SAS (FR) 2009-02-25 EP disclosed
EP-2007770-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
WO-2007137874-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2007-12-06 WO disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 WO disclosed
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 MAPT 4672/4885MAPK1 2974/4885HSD17B10 104/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 MAPT 4443/4885MAPK1 1231/4885HSD17B10 423/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 MAPT 4684/4885MAPK1 2962/4885HSD17B10 101/4885

“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.