SCHEMBL3582258

SCHEMBL3582258

COC(=O)C=Cc1c(Cl)cc2nn(C)cc2c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 5/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NFE2L2 Q16236 1/20 0.32
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL3582253 1.00 KDM4E (0.36) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL3581580 0.86 KMT2A (0.32) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL3581574 0.86 KMT2A (0.32) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL3576193 0.79 MAPT (0.40) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL3576187 0.79 MAPT (0.40) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL3568981 0.78 KMT2A (0.39) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL3585644 0.75 TSHR (0.36) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL544004 0.73 KMT2A (0.41) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL31487609 0.70 CNKSR1 (0.42) ALDH1A1TTRRAB9AMAOBMAPT
SCHEMBL3576279 0.68 PLA2G2A (0.36) KDM4EALDH1A1HPGDKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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 (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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH KDM4E 1876/4885ALDH1A1 1673/4885GAA 3103/4885

“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.