SCHEMBL4123622

SCHEMBL4123622

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.36
RIPK1 Q13546 1/20 0.35
NOTUM Q6P988 1/20 0.34
GRIN2B Q13224 4/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC16A3 O15427 3/20 0.31
SLC16A1 P53985 3/20 0.31
RORC P51449 2/20 0.31
HTT P42858 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 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) HTR2CSLC6A4SLC16A3SLC16A1RORC
SCHEMBL4118486 0.92 GRIN2B (0.32) RIPK1GRIN2BHTR2CSLC6A4MEN1
SCHEMBL2838662 0.91 SLC16A3 (0.38) HTR2CSLC6A4SLC16A3SLC16A1MEN1
SCHEMBL4126939 0.89 HTR2C (0.32) HTR2CSLC6A4RORCMEN1KMT2A
SCHEMBL4127365 0.89 SCN9A (0.35) GRIN2BHTR2CSLC6A4RORCHTT
SCHEMBL4123906 0.89 SPR (0.35) RIPK1HTR2CSLC6A4SLC16A3SLC16A1
SCHEMBL3696768 0.88 HTR2C (0.45) MDM2RIPK1GRIN2BHTR2CSLC6A4
SCHEMBL4120305 0.88 MDM2 (0.36) MDM2RIPK1NOTUMGRIN2BHTR2C
SCHEMBL3814318 0.87 MDM2 (0.33) MDM2RIPK1NOTUMGRIN2BSLC16A3
SCHEMBL4136934 0.86 KCNQ3 (0.32) HTR2CSLC6A4MEN1KMT2A

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 MDM2 4783/4885RIPK1 4203/4885NOTUM 255/4885

“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.