SCHEMBL2300265

SCHEMBL2300265

COc1c([N+](=O)[O-])cc(Br)c2c1/C(=C/C#N)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.36
MAPT P10636 3/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPMT P51580 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
GRM6 O15303 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2300267 1.00 GPR35 (0.36) GPR35MAPTBCHEACHEL3MBTL1
SCHEMBL2295396 0.78 KDM4E (0.47) GPR35MAPTBCHEACHEL3MBTL1
SCHEMBL521580 0.72 GRIN2D (0.40) GPR35MAPTBCHEACHEL3MBTL1
SCHEMBL19927402 0.72 TPMT (0.41) GPR35MAPTL3MBTL1TPMTPOLB
SCHEMBL19932173 0.72 TPMT (0.41) GPR35MAPTL3MBTL1TPMTPOLB
SCHEMBL12087073 0.72 MAPT (0.41) GPR35MAPTL3MBTL1TPMTPOLB
SCHEMBL12263633 0.71 SOST (0.37) GPR35MAPTL3MBTL1TPMTPOLB
SCHEMBL7950096 0.67 CA2 (0.31)
SCHEMBL30673260 0.66 GPR35 (0.48) GPR35MAPTTPMTPOLBGRM6
SCHEMBL1734088 0.66 VCAM1 (0.51) GPR35MAPTL3MBTL1TPMTPOLB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
EP-2029561-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US disclosed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US disclosed
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-8349879-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8236837-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-07 US disclosed
US-8030337-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-04 US disclosed
US-8030337-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-04 US disclosed
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 US disclosed
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 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 (5 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-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 GPR35 217/4885MAPT 707/4885BCHE 1444/4885
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 GPR35 217/4885MAPT 707/4885BCHE 1444/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 GPR35 217/4885MAPT 707/4885BCHE 1444/4885
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 GPR35 217/4885MAPT 707/4885BCHE 1444/4885
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 GPR35 217/4885MAPT 707/4885BCHE 1444/4885

“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.