SCHEMBL4119376

SCHEMBL4119376

O=C(O)NCCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(CN3CCCC3)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
FAAH O00519 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ACP1 P24666 1/20 0.35
BDKRB1 P46663 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4118179 0.87 HTR6 (0.37) LMNASMN1; SMN2USP28USP25MAPT
SCHEMBL4118513 0.86 MAPT (0.37) TSHRSMN1; SMN2USP28USP25MAPT
SCHEMBL4137545 0.85 PKM (0.43) LMNATSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL16333240 0.84 GRM2 (0.40) GRM2FAAHMAPK1LMNATSHR
SCHEMBL4119370 0.84 GRM2 (0.41) GRM2FAAHMAPK1LMNATSHR
Hydrochloric Acid SCHEMBL4131025 0.83 GRM2 (0.39) GRM2FAAHMAPK1LMNATSHR
SCHEMBL4129177 0.83 KAT6A (0.39) TSHRSMN1; SMN2USP28USP25MAPT
SCHEMBL4132039 0.82 NPC1 (0.43) TSHRSMN1; SMN2USP28USP25MAPT
SCHEMBL4126518 0.81 MAPK1 (0.38) MAPK1LMNASMN1; SMN2USP28USP25
SCHEMBL4119867 0.81 MAPT (0.41) LMNASMN1; SMN2MAPTALDH1A1KDM4E

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 GRM2 3002/4885FAAH 134/4885MAPK1 2423/4885

“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.