SCHEMBL6899514

SCHEMBL6899514

CCCCCOc1ccc(Nc2ccc(-c3ccc(CCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.50
FFAR1 O14842 4/20 0.49
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 4/20 0.48
S1PR4 O95977 2/20 0.48
RARB P10826 3/20 0.46
P2RX3 P56373 1/20 0.46
S1PR5 Q9H228 1/20 0.44
PLA2G4B P0C869 3/20 0.44

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
SCHEMBL7337576 0.84 L3MBTL1 (0.75) L3MBTL1LMNAGAAFFAR1S1PR1
SCHEMBL20426075 0.81 LMNA (0.60) L3MBTL1LMNAFFAR1S1PR1S1PR3
SCHEMBL24723561 0.80 L3MBTL1 (0.82) L3MBTL1LMNAGAAFFAR1S1PR1
SCHEMBL17320238 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3
Hydrochloric Acid SCHEMBL10807470 0.79 L3MBTL1 (0.79) L3MBTL1LMNAGAAFFAR1S1PR1
SCHEMBL6497674 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3
SCHEMBL8378949 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3
SCHEMBL3488457 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3
SCHEMBL8558255 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3
SCHEMBL2185137 0.79 LMNA (0.79) L3MBTL1LMNAFFAR1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004510707-A 2004-04-08 JP claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US claimed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP claimed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US claimed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US disclosed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP disclosed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US disclosed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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 (2 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-20030225085-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 L3MBTL1 2284/4885LMNA 265/4885GAA 3007/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 L3MBTL1 2284/4885LMNA 265/4885GAA 3007/4885

“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.