SCHEMBL896297

SCHEMBL896297

CCC(C(=O)O)c1nnc(Cl)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.36
AKR1C2 P52895 10/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
AKR1C1 Q04828 2/20 0.34
PTGS1 P23219 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL1400395 0.74 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL22335505 0.74 TSHR (0.31) PPARA
SCHEMBL9260962 0.70 LMNA (0.46) AKR1C3AKR1C2ALDH1A1AKR1C1PTGS1
SCHEMBL28988131 0.70 LMNA (0.32)
SCHEMBL28772896 0.69 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL896359 0.68 AKR1C3 (0.38) AKR1C3AKR1C2SMN1; SMN2ALDH1A1AKR1C1
SCHEMBL895506 0.68 L3MBTL1 (0.42) AKR1C3AKR1C2MAPK1AKR1C1PTGS1
SCHEMBL3542896 0.67 LMNA (0.30)
SCHEMBL30937584 0.66 TDP1 (0.35)
SCHEMBL474100 0.66 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK AKR1C3 2050/4885AKR1C2 2260/4885SMN1; SMN2 2463/4885

“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.