SCHEMBL3576193

SCHEMBL3576193

COC(=O)C=Cc1ccc2nn(C)cc2c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPC1 O15118 3/20 0.36

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
SCHEMBL3576187 1.00 MAPT (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3582258 0.79 KDM4E (0.36) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3581574 0.79 KMT2A (0.32) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3581580 0.79 KMT2A (0.32) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3582253 0.79 KDM4E (0.36) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL21986694 0.79 MEN1 (0.41) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL544050 0.78 TSHR (0.39) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL544004 0.78 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL544148 0.78 MAOA (0.41) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL3576652 0.75 KDM4E (0.39) MAPTALDH1A1KMT2AKDM4EMEN1

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 8 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

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 MAPT 3664/4885ALDH1A1 1673/4885KMT2A 518/4885

“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.