SCHEMBL4135599

SCHEMBL4135599

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2cccc(F)c2F)n1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4126939 0.93 HTR2C (0.32) HTR2CSLC6A4RORCALDH1A1KDM4E
SCHEMBL4123622 0.93 MDM2 (0.36) HTR2CSLC6A4SLC16A3SLC16A1RORC
SCHEMBL4127365 0.93 SCN9A (0.35) HTR2CSLC6A4RORCALDH1A1KDM4E
SCHEMBL4123906 0.93 SPR (0.35) HTR2CSLC6A4SLC16A3SLC16A1ALDH1A1
SCHEMBL4118486 0.92 GRIN2B (0.32) HTR2CSLC6A4MEN1KMT2A
SCHEMBL3703228 0.88 HTR2C (0.45) HTR2CSLC6A4SLC16A3SLC16A1
SCHEMBL3703232 0.87 SLC16A3 (0.31) SLC16A3SLC16A1
SCHEMBL2838662 0.87 SLC16A3 (0.38) HTR2CSLC6A4SLC16A3SLC16A1ALDH1A1
SCHEMBL4125525 0.86 CNR1 (0.35) HTR2CSLC6A4ALDH1A1
SCHEMBL4131684 0.86 KCNQ3 (0.34) HTR2CSLC6A4

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 HTR2C 2565/4885SLC6A4 3372/4885SLC16A3 2809/4885

“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.