SCHEMBL3107109

SCHEMBL3107109

CC(C(=O)O)c1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 2/20 0.56
PTGS2 P35354 8/20 0.51
MAPT P10636 1/20 0.47
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
PTGS1 P23219 4/20 0.45
CYP2C9 P11712 3/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3106968 0.83 CYP1A2 (0.54) LMNAMEN1KMT2ACYP1A2PTGS2
SCHEMBL3452908 0.78 LMNA (0.80) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL1640817 0.76 CYP1A2 (0.65) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL917093 0.74 PTGS2 (0.87) LMNAPTGS2PTGS1CYP2C9TSHR
SCHEMBL4059035 0.74 ALDH1A1 (0.45) LMNAMEN1KMT2ACYP1A2PTGS2
SCHEMBL11035831 0.73 LMNA (1.00) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL2152989 0.73 LMNA (0.67) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL482059 0.73 CYP1A2 (1.00) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL11119298 0.72 KMT2A (0.53) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL7297019 0.72 CYP1A2 (0.51) LMNAMEN1KMT2ACYP1A2PTGS2

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-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET LMNA 2650/4885MEN1 121/4885KMT2A 1002/4885

“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.