SCHEMBL551718

SCHEMBL551718

O=C1NC2(CCNCC2)Nc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.46
CES1 P23141 1/20 0.46
PARP10 Q53GL7 2/20 0.43
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.40
PARP11 Q9NR21 1/20 0.40
LRRK2 Q5S007 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CDK2 P24941 1/20 0.38
TDP2 O95551 1/20 0.36
AGTR1 P30556 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
BRD4 O60885 1/20 0.35

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
Hydrochloric Acid SCHEMBL3223973 0.81 CHEK1 (0.46) TGM2CES1PARP10PARP1KDM4E
SCHEMBL551956 0.78 KDM4E (0.63) KDM4EMAPTALDH1A1GLALRRK2
SCHEMBL1681726 0.77 TGM2 (0.42) TGM2CES1PARP10PARP1KDM4E
Hydrochloric Acid SCHEMBL3494698 0.76 KDM4E (0.66) KDM4EMAPTALDH1A1GLALRRK2
SCHEMBL1176535 0.74 KDM4E (0.46) KDM4EMAPTALDH1A1GLAKMT2A
SCHEMBL30015082 0.72 LRRK2 (0.42) TGM2CES1PARP10PARP1KDM4E
SCHEMBL551727 0.71 HDAC3 (0.60) TGM2CES1PARP10PARP1ALDH1A1
SCHEMBL30972546 0.70 TGM2 (0.77) TGM2CES1KDM4EMAPTLRRK2
SCHEMBL24665688 0.69 TGM2 (0.68) TGM2CES1LRRK2KMT2AMEN1
SCHEMBL23615507 0.68 TGM2 (0.52) TGM2CES1PARP10PARP1KDM4E

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 2 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-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 TGM2 1013/4885CES1 58/4885PARP10 1735/4885

“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.