SCHEMBL551135

SCHEMBL551135

CC(=O)Nc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3nc4ccccc4s3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39

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
SCHEMBL551384 0.88 MAPT (0.47) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL552134 0.85 HPGD (0.47) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL550713 0.83 HRH4 (0.46) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL552178 0.83 PTK2 (0.44) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL10169990 0.80 ALOX15 (0.40) RAB9AMEN1KMT2AHDAC3HDAC4
SCHEMBL552194 0.80 HPGD (0.42) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL550996 0.76 CRBN (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL551873 0.75 MAPT (0.40) RAB9AMAPTKDM4EKMT2AHPGD
SCHEMBL551229 0.75 ACACB (0.56)
SCHEMBL10169914 0.75 ACACB (0.49) MAPTMEN1KMT2AHPGDSMN1; SMN2

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 6 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
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 RAB9A 3632/4885MAPT 1108/4885KDM4E 2462/4885

“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.