SCHEMBL717434

SCHEMBL717434

Cc1c(C(=O)C2CCCC2)sc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HSD11B1 P28845 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.46
OGG1 O15527 1/20 0.44
LIMK1 P53667 2/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ESR1 P03372 1/20 0.41
MCL1 Q07820 1/20 0.41
IKBKB O14920 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 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
SCHEMBL719608 0.79 KDM4E (0.44) NPC1RAB9ACYP2C19ALDH1A1LMNA
SCHEMBL16598796 0.77 RXFP1 (0.73) PRNPRXFP1HSD11B1NPC1RAB9A
SCHEMBL718690 0.76 IKBKB (0.45) CYP2C19LIMK1ALDH1A1IKBKBMAPT
SCHEMBL724156 0.76 LIMK1 (0.45) NPC1RAB9ACYP2C19LIMK1ALDH1A1
SCHEMBL2610250 0.75 RXFP1 (0.61) PRNPRXFP1HSD11B1NPC1RAB9A
SCHEMBL584871 0.75 RXFP1 (0.71) PRNPRXFP1HSD11B1LIMK1MAOB
SCHEMBL29939764 0.75 RXFP1 (0.71) PRNPRXFP1HSD11B1LIMK1MAOB
SCHEMBL29483598 0.74 LIMK1 (0.68) PRNPRXFP1HSD11B1OGG1LIMK1
SCHEMBL2610245 0.74 RXFP1 (0.59) PRNPRXFP1HSD11B1NPC1RAB9A
SCHEMBL2702750 0.74 LIMK1 (0.68) PRNPRXFP1HSD11B1OGG1LIMK1

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 PRNP 4867/4885RXFP1 3336/4885HSD11B1 281/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PRNP 4867/4885RXFP1 3336/4885HSD11B1 281/4885

“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.