SCHEMBL4056835

SCHEMBL4056835

COc1ccc2c(c1)C(=O)c1cncnc1CO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
RAB9A P51151 1/20 0.57
CYP19A1 P11511 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
APP P05067 4/20 0.42
MAOB P27338 4/20 0.42

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
SCHEMBL654789 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL13765238 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL8465471 0.76 APP (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL87317 0.76 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL11281834 0.75 AKR1B1 (0.48)
SCHEMBL4058667 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL653579 0.73 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL28827715 0.73 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL29817556 0.73 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL172911 0.72 MAPT (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1

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 ALDH1A1 1149/4885SMN1; SMN2 4651/4885MAPT 4493/4885

“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.