SCHEMBL3567445

SCHEMBL3567445

N#CC1(c2cccc(Sc3ccc(N)cc3)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40
PIK3CD O00329 2/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL7811821 0.81 ALOX5 (0.42) ALOX5PIK3CDKMT2ACYP19A1
SCHEMBL3574382 0.81 ALOX5 (0.46) ALOX5PIK3CDKMT2A
SCHEMBL3561984 0.81 ALOX5 (0.43) ALOX5PIK3CDKMT2AKDM4EALDH1A1
SCHEMBL7809060 0.80 KMT2A (0.41) ALOX5PIK3CDPRKACAPRKACGPRKACB
SCHEMBL7892149 0.79 ALOX5 (0.42) ALOX5KMT2AKDM4EALDH1A1MAPT
SCHEMBL332725 0.79 ALOX5 (0.53) ALOX5PIK3CDKMT2A
SCHEMBL3572528 0.79 ALOX5 (0.41) ALOX5PIK3CDKMT2AMAOAMAOB
SCHEMBL1599579 0.78 ALOX5 (0.36) ALOX5PIK3CDKMT2A
SCHEMBL1599433 0.78 ALOX5 (0.35) ALOX5PIK3CDCYP19A1
SCHEMBL7807422 0.78 ALOX5 (0.44) ALOX5PIK3CDTSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674811-B2 5-lipoxygenase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-09 US disclosed
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-01-24 US disclosed
EP-1834953-A1 Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors Ranbaxy Laboratories Limited (IN) 2007-09-19 EP disclosed
EP-1029865-B1 Process for preparing 5-lipoxygenase inhibitors PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-6194585-B1 REACTING 4-(3-(4-(2-(ALKYL OR ARYL-IMIDAZOL-1-YL)-PHENYL SULFANYL)-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID AMIDE WITH METHANESULFONIC ACID TO FORM CORRESPONDING METHANESULFONIC ACID PFIZER INC. 2001-02-27 US disclosed
EP-1029865-A2 Process and intermediates for preparing 5-lipoxygenase inhibitors Pfizer Products Inc. (US) 2000-08-23 EP 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-20080021080-A1 5-LIPOXYGENASE INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5 1/4885ANXA2 492/4885S100A10 1810/4885

“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.