SCHEMBL10169984

SCHEMBL10169984

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(-c4nnn[nH]4)ccc2O3)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ACACA Q13085 3/20 0.38
ACACB O00763 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
P2RY12 Q9H244 2/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
SCD O00767 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL552199 0.91 ACACB (0.48) ACACAACACBHDAC3HDAC4HDAC1
SCHEMBL10169954 0.87 ACACB (0.41) ACACAACACBMGLLHDAC3HDAC4
SCHEMBL550834 0.86 PTK2 (0.42) ACACAACACBHDAC3HDAC4HDAC1
SCHEMBL10169996 0.85 ACACB (0.39) ACACAACACBHDAC3HDAC4HDAC1
SCHEMBL10169971 0.84 ALOX15 (0.43) ALOX15ACACAACACBRAB9AP2RY12
SCHEMBL10169941 0.83 KDM4E (0.38) ACACAACACBKMT2AHDAC3HDAC4
SCHEMBL10169990 0.82 ALOX15 (0.40) ALOX15ACACAACACBRAB9AKMT2A
SCHEMBL10170011 0.82 ACACB (0.36) ACACAACACBHDAC3HDAC4HDAC1
SCHEMBL10169935 0.82 HRH4 (0.47) ACACB
SCHEMBL10169933 0.81 KMT2A (0.43) ACACAACACBKMT2AHDAC3HDAC4

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 4 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-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 ALOX15 425/4885ACACA 1/4885ACACB 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.