SCHEMBL4131517

SCHEMBL4131517

CN(Cc1cc(Sc2cccnc2)n(-c2cccc(F)c2Cl)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.33
P2RX7 Q99572 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
CCKBR P32239 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL4120305 0.89 MDM2 (0.36) GPBAR1NPSR1KMT2ATSHRHTR2C
SCHEMBL3697749 0.88 HTR2C (0.45) GPBAR1P2RX7NPSR1TSHRHTR2C
SCHEMBL4126939 0.88 HTR2C (0.32) KMT2AALDH1A1HTR2CSLC6A4MEN1
SCHEMBL3697752 0.87 ALDH1A1 (0.32) GPBAR1NPSR1CACNA1GCACNA1HCACNA1I
SCHEMBL4128944 0.87 SLC16A3 (0.38) KMT2AHTR2CSLC6A4LMNAMEN1
SCHEMBL4119113 0.86 ALDH1A1 (0.33) GPBAR1P2RX7NPSR1CACNA1GCACNA1H
SCHEMBL4131521 0.82 ATM (0.37) P2RX7NPSR1KMT2ATSHRCACNA1G
SCHEMBL4127365 0.80 SCN9A (0.35) P2RX7KMT2AALDH1A1HTR2CSLC6A4
SCHEMBL4135599 0.80 HTR2C (0.32) KMT2AALDH1A1HTR2CSLC6A4MEN1
SCHEMBL4123906 0.80 SPR (0.35) P2RX7NPSR1KMT2AALDH1A1HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 GPBAR1 52/4885P2RX7 1303/4885NPSR1 2001/4885

“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.