SCHEMBL4137769

SCHEMBL4137769

N#Cc1ncccc1-n1nc(CCNC(=O)O)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NAMPT P43490 7/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.32
ELANE P08246 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL4135836 0.85 HTT (0.37) HTTATMNAMPTALDH1A1L3MBTL1
SCHEMBL4126131 0.85 HTT (0.37) HTTATMNAMPTALDH1A1L3MBTL1
SCHEMBL4131224 0.83 P2RX7 (0.38) HTTATMNAMPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3694577 0.82 HTR6 (0.34) NAMPTALDH1A1CYP2C9MAPK1P2RX7
SCHEMBL476366 0.82 NAMPT (0.38) NAMPTALDH1A1L3MBTL1
SCHEMBL4137765 0.81 NAMPT (0.33) NAMPTALDH1A1MAPK1P2RX7PKM
SCHEMBL3698417 0.81 PLCG1 (0.33) NAMPTCYP2C9P2RX7PTGDR2CNR1
SCHEMBL476390 0.80 HTT (0.39) HTTNAMPTALDH1A1TSHRP2RX7
SCHEMBL4139027 0.79 CNR1 (0.39) NAMPTCNR1
SCHEMBL4120239 0.79 HTR6 (0.40) NAMPTALDH1A1L3MBTL1PTGDR2

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 HTT 3967/4885ATM 4850/4885NAMPT 2129/4885

“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.