SCHEMBL805918

SCHEMBL805918

Fc1ccc(Oc2cccc(I)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NOD2 Q9HC29 1/20 0.45
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 2/20 0.41
TNKS O95271 1/20 0.41
PARP15 Q460N3 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
SOS1 Q07889 1/20 0.40
HSPB1 P04792 1/20 0.40
GCK P35557 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL3839098 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL3839195 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL3845675 0.87 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL17608841 0.86 MAP4K4 (0.41) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL74818 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL6289255 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL4569951 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL6289859 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL6290436 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1MITFGAA
SCHEMBL6290665 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1MITFGAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850217-B1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 2000-04-05 EP claimed
EP-0850217-A1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY Abbott Laboratories (US) 1998-07-01 EP claimed
US-5714633-A Process for the preparation of arylalkynyl-N-hydroxyurea derivatives having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1998-02-03 US claimed
WO-1997010206-A1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1997-03-20 WO claimed
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
EP-0850217-B1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 2000-04-05 EP disclosed
EP-0850217-A1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY Abbott Laboratories (US) 1998-07-01 EP disclosed
US-5714633-A Process for the preparation of arylalkynyl-N-hydroxyurea derivatives having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1998-02-03 US disclosed
WO-1997010206-A1 PROCESS FOR THE PREPARATION OF ARYLALKYNYL-N-HYDROXYUREA DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1997-03-20 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 (3 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 ALDH1A1 172/4885SMN1; SMN2 522/4885MEN1 1207/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 ALDH1A1 172/4885SMN1; SMN2 522/4885MEN1 1207/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 ALDH1A1 2211/4885SMN1; SMN2 4724/4885MEN1 4720/4885

“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.