SCHEMBL4036991

SCHEMBL4036991

O=C(CC(O)C(=O)O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
KMT2A Q03164 2/20 0.49
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTNNB1 P35222 4/20 0.46
WNT3A P56704 3/20 0.46
GRM4 Q14833 1/20 0.46
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
OPRK1 P41145 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
Potassium Ion SCHEMBL3752467 0.83 CES2 (0.52) PTPRACES2CES1LMNAL3MBTL1
SCHEMBL27883402 0.81 LMNA (0.47) PTPRACES2CES1LMNAL3MBTL1
SCHEMBL13052010 0.80 TSHR (0.48) PTPRALMNAKDM4ESMN1; SMN2TDP1
SCHEMBL2761108 0.80 SMN1; SMN2 (0.48) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL7109048 0.79 ALDH1A1 (0.55) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL29915595 0.79 ALDH1A1 (0.55) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4478366 0.78 CES2 (0.48) PTPRACES2CES1LMNAL3MBTL1
SCHEMBL29096165 0.77 CES2 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL11003297 0.77 GSK3B (0.49) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL11199419 0.76 ALDH1A1 (0.52) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
EP-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP PTPRA 248/4885CES2 3878/4885CES1 4672/4885

“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.