SCHEMBL719401

SCHEMBL719401

Cc1c(C(CC(C)C)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)oc2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GCG P01275 3/20 0.35
KCNH2 Q12809 2/20 0.34
MAOB P27338 1/20 0.34
TTR P02766 1/20 0.33
BRD4 O60885 1/20 0.33
S1PR1 P21453 1/20 0.33
KIF11 P52732 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL719666 0.94 MAOB (0.38) MCL1KDM4EALDH1A1RXFP1GCG
SCHEMBL720180 0.91 MAOB (0.39) MCL1KDM4EALDH1A1PKMRXFP1
SCHEMBL720202 0.88 KMT2A (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL718376 0.87 GCG (0.39) PKMGCGSMN1; SMN2
SCHEMBL716872 0.86 MCL1 (0.47) MCL1KDM4EALDH1A1PKMRXFP1
SCHEMBL3397658 0.85 GCG (0.51) GCG
SCHEMBL2669790 0.84 CASP3 (0.42) KDM4EALDH1A1PKMKMT2ASMN1; SMN2
SCHEMBL719322 0.83 KMT2A (0.43) KDM4EALDH1A1HPGDHSD17B10HIF1A
SCHEMBL3400805 0.81 MAPT (0.37) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL716349 0.80 KMT2A (0.45) KDM4EALDH1A1HPGDHSD17B10HIF1A

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MCL1 900/4885KDM4E 1907/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MCL1 900/4885KDM4E 1907/4885ALDH1A1 504/4885

“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.