SCHEMBL4126939

SCHEMBL4126939

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2cccc(F)c2Cl)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4135599 0.93 HTR2C (0.32) HTR2CSLC6A4ALDH1A1RORCKDM4E
SCHEMBL4127365 0.93 SCN9A (0.35) HTR2CSLC6A4ALDH1A1RORCKDM4E
SCHEMBL4123906 0.93 SPR (0.35) HTR2CSLC6A4ALDH1A1KDM4EMEN1
SCHEMBL4123622 0.89 MDM2 (0.36) HTR2CSLC6A4ALDH1A1RORCMEN1
SCHEMBL4118486 0.89 GRIN2B (0.32) HTR2CSLC6A4MEN1KMT2A
SCHEMBL3700534 0.88 HTR2C (0.45) HTR2CSLC6A4ALDH1A1
SCHEMBL4131517 0.88 GPBAR1 (0.33) HTR2CSLC6A4ALDH1A1MEN1KMT2A
SCHEMBL3700538 0.87
SCHEMBL2838662 0.87 SLC16A3 (0.38) HTR2CSLC6A4ALDH1A1MEN1KMT2A
SCHEMBL4125525 0.86 CNR1 (0.35) HTR2CSLC6A4KCNQ3KCNQ2ALDH1A1

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 3372/4885KCNQ3 4287/4885

“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.