SCHEMBL3581580

SCHEMBL3581580

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
STAT3 P40763 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 4/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 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
SCHEMBL3581574 1.00 KMT2A (0.32) KMT2AKDM4ESMN1; SMN2TTRAPP
SCHEMBL3582253 0.86 KDM4E (0.36) KMT2AKDM4ESMN1; SMN2TTRAPP
SCHEMBL3582258 0.86 KDM4E (0.36) KMT2AKDM4ESMN1; SMN2TTRAPP
SCHEMBL3576193 0.79 MAPT (0.40) KMT2AKDM4ESMN1; SMN2TTRAPP
SCHEMBL3576187 0.79 MAPT (0.40) KMT2AKDM4ESMN1; SMN2TTRAPP
SCHEMBL3576279 0.78 PLA2G2A (0.36) KMT2AKDM4EMAOAMAOBALDH1A1
SCHEMBL3577079 0.75 TSHR (0.36) KDM4EMAOAMAOBALDH1A1HPGD
SCHEMBL544148 0.73 MAOA (0.41) KMT2AKDM4EMAOAMAOBALDH1A1
SCHEMBL26790436 0.69 ALDH1A1 (0.39) KDM4EMAOAMAOBALDH1A1MAPT
SCHEMBL3568981 0.68 KMT2A (0.39) KMT2AKDM4ESMN1; SMN2MAOAMAOB

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 9 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
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 KMT2A 518/4885KDM4E 1876/4885SMN1; SMN2 1636/4885

“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.