SCHEMBL4049786

SCHEMBL4049786

C=Cc1ccc2cc(F)c(Cl)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.36
MAPT P10636 3/20 0.35
SLC2A1 P11166 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL27787626 0.85 S1PR4 (0.40) S1PR4SLC2A1LMNAHTTKMT2A
SCHEMBL4050836 0.85 NPC1 (0.35) S1PR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7806544 0.84 CCR1 (0.44) S1PR4MAPTSLC2A1NPC1RAB9A
SCHEMBL7245334 0.74 KDM4E (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL627005 0.74 S1PR4 (0.46) S1PR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7245330 0.74 KDM4E (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4052149 0.73 CYP1A2 (0.48) MAPTKDM4ELMNA
SCHEMBL11517006 0.73 S1PR4 (0.45) S1PR4MAPTSLC2A1NPC1RAB9A
SCHEMBL6819092 0.71 CCR1 (0.48) S1PR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7801389 0.69 CCR1 (0.42) S1PR4MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN claimed
CN-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN 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
CN-100379742-C novel tricyclic derivatives as LTD4 antagonists ALMIRALL PRODESFARMA SA (ES) 2008-04-09 CN disclosed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US disclosed
CN-1735618-A New tricyclic derivatives as LTD4 antagonists ALMIRALL PRODESFARMA SA (ES) 2006-02-15 CN disclosed
CN-1240684-C Dibenzocycloheptene compound UBE INDUSTRIES (JP) 2006-02-08 CN disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
CN-1531528-A Dibenzocycloheptene compound ��˲���ʽ���� 2004-09-22 CN disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 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 (2 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 S1PR4 102/4885MAPT 4493/4885SLC2A1 4782/4885
US-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S S1PR4 981/4885MAPT 4409/4885SLC2A1 4117/4885

“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.