SCHEMBL4123906

SCHEMBL4123906

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2F)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC16A3 O15427 5/20 0.34
SLC16A1 P53985 5/20 0.34
RIPK1 Q13546 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK8 P45983 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMO Q99835 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4135599 0.93 HTR2C (0.32) HTR2CSLC6A4SLC16A3SLC16A1ALDH1A1
SCHEMBL4127365 0.93 SCN9A (0.35) SPRHTR2CSLC6A4SCN3AALDH1A1
SCHEMBL4126939 0.93 HTR2C (0.32) HTR2CSLC6A4ALDH1A1MEN1KMT2A
SCHEMBL2838662 0.91 SLC16A3 (0.38) HTR2CSLC6A4SLC16A3SLC16A1ALDH1A1
SCHEMBL4125525 0.90 CNR1 (0.35) HTR2CSLC6A4ALDH1A1P2RX7
SCHEMBL4131684 0.90 KCNQ3 (0.34) HTR2CSLC6A4RIPK1MAPK8SMO
SCHEMBL4130351 0.89 HTR1A (0.32) HTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL4125749 0.89 HCRTR1 (0.31) HTR2CSLC6A4KDM4E
SCHEMBL4123622 0.89 MDM2 (0.36) HTR2CSLC6A4SLC16A3SLC16A1RIPK1
SCHEMBL4118486 0.88 GRIN2B (0.32) HTR2CSLC6A4RIPK1MEN1KMT2A

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 SPR 4863/4885HTR2C 2565/4885SLC6A4 3372/4885

“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.