SCHEMBL5287712

SCHEMBL5287712

O=C(O)CNc1cccc(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.50
AKR1C3 P42330 1/20 0.47
FABP4 P15090 3/20 0.45
GRIK1 P39086 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
FAAH O00519 1/20 0.40
ABAT P80404 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TRPV1 Q8NER1 1/20 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
SCHEMBL7842812 0.88 GRK2 (0.43) GRK2AKR1C3FABP4GRIK1CA12
SCHEMBL340537 0.86 AKR1C3 (0.55) AKR1C3FABP4CA12CA1CA2
SCHEMBL23121180 0.82 KMT2A (0.49) GRK2AKR1C3GRIK1CA12CA1
SCHEMBL27831670 0.81 GRK2 (0.53) GRK2AKR1C3CA12CA1CA2
SCHEMBL1733736 0.81 GRK2 (0.47) GRK2AKR1C3CA12CA1CA2
SCHEMBL24137508 0.80 ERCC1 (0.63) GRK2GRIK1TRPV1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11309314 0.79 CYP3A4 (0.52) AKR1C3CA12CA1CA2CA9
SCHEMBL150832 0.79 CYP3A4 (0.52) AKR1C3CA12CA1CA2CA9
SCHEMBL30095424 0.78 ABAT (0.50) AKR1C3FABP4ABATALDH1A1LMNA
SCHEMBL1430415 0.78 MEN1 (0.58) GRK2AKR1C3ALDH1A1

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-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK2 2/4885AKR1C3 1555/4885FABP4 2722/4885

“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.