SCHEMBL4126512

SCHEMBL4126512

CN(Cc1nc(-c2ccccc2F)c(Sc2cccc(CN3CCCC3)c2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
BCHE P06276 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
DHODH Q02127 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CXCR4 P61073 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL4125425 0.84 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4126518 0.84 MAPK1 (0.38) KDM4EHTTMEN1KMT2ACYP2D6
SCHEMBL3807952 0.83 MAPT (0.33) KDM4EHTTHTR2CALDH1A1SMN1; SMN2
SCHEMBL4119370 0.81 GRM2 (0.41) KDM4EHTTMEN1KMT2ACYP2D6
SCHEMBL4131683 0.81 EDNRA (0.40) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL4131857 0.81 MAPT (0.31) KDM4EHTR2CALDH1A1SMN1; SMN2
SCHEMBL4120348 0.79 PPARG (0.35) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL4125987 0.78 PLA2G7 (0.35) KDM4EKMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL4129846 0.75 ALDH1A1 (0.33) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4135549 0.74 DHODH (0.36) KMT2AALDH1A1SMN1; SMN2TDP1LMNA

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 KDM4E 3808/4885HTT 3967/4885MEN1 1910/4885

“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.