SCHEMBL718405

SCHEMBL718405

Cc1sc2ccccc2c1C(Cl)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR3 P46089 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL716779 0.82 IDO1 (0.39) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL716754 0.79 NPC1 (0.36) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL13360485 0.70 GPR3 (0.46) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL717332 0.70 SLC6A2 (0.39) MAPTLMNA
SCHEMBL720511 0.68 IDO1 (0.36) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL720497 0.67 SIGMAR1 (0.42) MEN1KMT2ACYP2D6CYP3A4CYP2C19
SCHEMBL3111686 0.66 CHEK1 (0.37) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL718504 0.65 CYP2C19 (0.43) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL716824 0.65 NPC1 (0.48) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL11754971 0.64 IDO1 (0.53) MEN1MAPTKMT2ALMNAGAA

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 MEN1 444/4885POLB 4719/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885POLB 4719/4885MAPT 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.