SCHEMBL552251

SCHEMBL552251

Cc1c(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)[nH]c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 3/20 0.40
ALOX5 P09917 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SCD O00767 1/20 0.38
HSD11B1 P28845 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL24196942 0.75 PTGS2 (0.59) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL24196836 0.75 MAPT (0.61) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL10170271 0.72 MEN1 (0.45) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL10170296 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL10170281 0.71 KDM4E (0.44) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL551128 0.71 KMT2A (0.52) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL10170365 0.71 MAPT (0.44) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL10169946 0.71 KMT2A (0.44) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL1681617 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL3491156 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTHPGD

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
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ALDH1A1 476/4885KDM4E 2462/4885LMNA 2920/4885

“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.