SCHEMBL718402

SCHEMBL718402

Cn1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1H4 Q96RI1 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
MERTK Q12866 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HTT P42858 1/20 0.40
SMO Q99835 2/20 0.40

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
SCHEMBL718932 0.86 GCGR (0.49) HDAC6
SCHEMBL718794 0.84 NR1H4 (0.45) RCE1TP53MAPTNR1H4KMT2A
SCHEMBL721582 0.82 GCGR (0.46) HDAC6
SCHEMBL721583 0.80 GCG (0.42) KMT2AHDAC3HDAC1HDAC10HDAC6
SCHEMBL722458 0.77 NR1H4 (0.45) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL717350 0.73 TP53 (0.56) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3403102 0.73 GCG (0.45) TP53NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL6799563 0.72 KMT2A (0.48) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2867647 0.71 LMNA (0.55) TP53SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL716234 0.71 KMT2A (0.51) TP53SMN1; SMN2LMNAKMT2AKDM4E

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 4 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-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
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 RCE1 2661/4885TP53 293/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885TP53 293/4885MAPT 4533/4885

“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.