SCHEMBL4051243

SCHEMBL4051243

Nc1ccc2c(c1)C(=O)c1ccncc1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.43
CYP19A1 P11511 6/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MAOA P21397 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.38
MIF P14174 2/20 0.37

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
SCHEMBL4057560 0.89 TYMS (0.43) TYMSCYP19A1CASP1CASP7HSD17B10
SCHEMBL16559372 0.83 CASP1 (0.55) TYMSCASP1CASP7HSD17B10TDP1
SCHEMBL4054048 0.83 CYP19A1 (0.59) CYP19A1TDP1L3MBTL1MAPK14MAOB
SCHEMBL13771200 0.80 CYP19A1 (0.41) CYP19A1TDP1L3MBTL1MAPK14MAOB
SCHEMBL4062450 0.78 CES1 (0.61) CYP19A1TDP1L3MBTL1MAOBALDH1A1
SCHEMBL5655558 0.78 TDP1 (0.64) TYMSCASP1CASP7HSD17B10TDP1
SCHEMBL4053805 0.77 MAPT (0.49) HSD17B10TDP1ALDH1A1NPC1CYP3A4
SCHEMBL4062549 0.73 CYP19A1 (0.59) TYMSCYP19A1MAPK14MAOBMAOA
SCHEMBL10415974 0.73 MAPK14 (0.53) TYMSCASP1CASP7HSD17B10TDP1
SCHEMBL28395740 0.72 RAB9A (0.55) CASP1CASP7HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 TYMS 906/4885CYP19A1 1505/4885CASP1 1813/4885

“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.