SCHEMBL965192

SCHEMBL965192

COC(=O)c1cc(C(O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
F7 P08709 1/20 0.49
FOLH1 Q04609 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LRRK2 Q5S007 2/20 0.43

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
SCHEMBL965193 1.00 F2 (0.49) F2F7FOLH1ALDH1A1KDM4E
SCHEMBL4428242 0.89 FOLH1 (0.59) FOLH1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL27820730 0.86 F2 (0.53) F2F7FOLH1ALDH1A1KDM4E
SCHEMBL7109940 0.86 F2 (0.47) F2F7FOLH1ALDH1A1KDM4E
SCHEMBL6897412 0.85 FOLH1 (0.49) FOLH1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL6897408 0.85 FOLH1 (0.49) FOLH1ALDH1A1KDM4EPOLBL3MBTL1
Iodide SCHEMBL9574103 0.85 F2 (0.47) F2F7FOLH1ALDH1A1KDM4E
Iodide SCHEMBL9574099 0.85 F2 (0.47) F2F7FOLH1ALDH1A1KDM4E
SCHEMBL14080487 0.84 ADRB2 (0.48) F2F7ALDH1A1KDM4EHPGD
SCHEMBL4670569 0.84 ADRB2 (0.48) F2F7ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G F2 3987/4885F7 3955/4885FOLH1 1885/4885

“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.