Sugi Predict

Sugi Predict / Compounds / SCHEMBL552465

SCHEMBL552465

SCHEMBL552465

O=C1NC2(CCN(C(=O)c3cccc(-c4cc[nH]n4)c3)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACACB O00763 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PIM1 P11309 4/20 0.39
▸ PIM2 Q9P1W9 4/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL551954 0.90 NEK2 (0.42) ACACBABL1HDAC3HDAC4HDAC1
SCHEMBL551291 0.90 ACACB (0.43) ACACBABL1HDAC3HDAC4HDAC1
SCHEMBL550996 0.88 CRBN (0.46) ACACBABL1HDAC3HDAC4HDAC1
SCHEMBL550902 0.87 ACACB (0.41) ACACBABL1HDAC3HDAC4HDAC1
SCHEMBL551334 0.87 MEN1 (0.42) MEN1KMT2AACACBPOLBABL1
SCHEMBL4258719 0.85 ACACB (0.57) MEN1KMT2AACACBHDAC3HDAC4
SCHEMBL4521164 0.80 ACACB (0.49) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10170215 0.77 IP6K1 (0.42) MEN1KMT2AACACBMAPTPIM1
SCHEMBL4497416 0.76 ACACB (0.43) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL4261998 0.76 ACACB (0.50) ACACBHDAC3HDAC4HDAC1HDAC7

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
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

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 MEN1 952/4885KMT2A 1889/4885ACACB 3/4885

“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.