SCHEMBL4058607

SCHEMBL4058607

COc1ccc(OCc2cccnc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.47
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
GAA P10253 5/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 4/20 0.47
TP53 P04637 4/20 0.47
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
CYP11B1 P15538 1/20 0.43
HTT P42858 3/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL8803373 0.85 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8804838 0.85 NPC1 (0.48) MAPTLMNASMN1; SMN2GAAHPGD
SCHEMBL4061725 0.85 LMNA (0.44) LMNASMN1; SMN2MAPK1TP53ALDH1A1
SCHEMBL929363 0.82 CYP11B1 (0.49) MAPTSMN1; SMN2GAAHPGDTP53
SCHEMBL29956964 0.81 ENPP2 (0.41) MAPTALDH1A1CYP11B1
SCHEMBL15083756 0.79 RAB9A (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29468728 0.78 CYP11B1 (0.39) MAPTHPGDTP53CYP11B1HTT
SCHEMBL24301622 0.77 PARP10 (0.39) CYP11B1
SCHEMBL29620944 0.77 NPC1 (0.63) MAPTLMNASMN1; SMN2GAAHPGD
SCHEMBL27046001 0.76 CYP11B1 (0.47) SMN1; SMN2GAAHPGDALDH1A1MEN1

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 8 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
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 MAPT 4493/4885LMNA 4007/4885SMN1; SMN2 4651/4885

“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.