SCHEMBL4049897

SCHEMBL4049897

O=C(O)c1cnccc1C=Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ PTPN6 P29350 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ CDK8 P49336 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ APP P05067 4/20 0.41
▸ CCNC P24863 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL4049894 1.00 PTPN1 (0.42) PTPN1PTPN2PTPN6TRPA1TRPM8
SCHEMBL27185866 0.86 CYP11B1 (0.50) PTPN1PTPN6TRPA1PIM1KDM4C
SCHEMBL9000661 0.78 KDM4C (0.44) CDK8APPCCNCKDM4CKDM4E
SCHEMBL9798914 0.78 TRPA1 (0.56) PTPN1PTPN2PTPN6TRPA1TRPM8
SCHEMBL10496471 0.78 TRPA1 (0.56) PTPN1PTPN2PTPN6TRPA1TRPM8
SCHEMBL21063712 0.74 CYP11B1 (0.52) PTPN1PTPN6TRPA1PIM1KDM4C
SCHEMBL21056630 0.74 CYP11B1 (0.52) PTPN1PTPN6TRPA1PIM1KDM4C
SCHEMBL22189551 0.74 MAPT (0.48) PTPN1PTPN2PTPN6TRPA1KDM4C
SCHEMBL4073902 0.74 SIRT3 (0.47) TRPA1CDK8CCNCKDM4EALDH1A1
SCHEMBL22189553 0.74 MAPT (0.48) PTPN1PTPN2PTPN6TRPA1KDM4C

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 5 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
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 PTPN1 3440/4885PTPN2 3355/4885PTPN6 3756/4885

“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.

Send feedback