SCHEMBL514515

SCHEMBL514515

Cc1nn(C)c(=O)c(Br)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IKBKB O14920 1/20 0.32
IKBKE Q14164 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL513475 0.72 NMT1 (0.33) CDK8ACVR1SMN1; SMN2KDM4EMAPT
Bicarbonate SCHEMBL513277 0.68 CDK8 (0.37) CDK8ACVR1LMNASMN1; SMN2KDM4E
SCHEMBL393866 0.68 TP53 (0.48) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL513375 0.68 CDK8 (0.34) CDK8ACVR1LMNASMN1; SMN2KDM4E
SCHEMBL513860 0.68 MAPK8 (0.42) CDK8ACVR1KDM4EALDH1A1HPGD
SCHEMBL8588935 0.67
SCHEMBL275172 0.67
SCHEMBL469635 0.67 KDM4E (0.39) CDK8ACVR1LMNAKDM4EMAPT
SCHEMBL3789703 0.66 MAPK8 (0.38) CDK8ACVR1LMNASMN1; SMN2MAPT
SCHEMBL12631892 0.66 CDK8 (0.40) CDK8ACVR1LMNASMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CDK8 3755/4885ACVR1 1220/4885LMNA 1748/4885

“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.