SCHEMBL4132039

SCHEMBL4132039

O=C(O)NCCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(N3CCCC3=O)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 3/20 0.36
GFER P55789 2/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 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 0.88 HTR6 (0.37) ALDH1A1HPGDSMN1; SMN2MAPTUSP2
SCHEMBL3651203 0.85 ALDH1A1 (0.37) NPC1RAB9AALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL3654790 0.84 MEN1 (0.37) NPC1RAB9AALDH1A1HPGDCYP1A2
SCHEMBL4118513 0.82 MAPT (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4119376 0.82 GRM2 (0.41) ALDH1A1CYP2D6CYP2C9SMN1; SMN2TSHR
SCHEMBL4137545 0.82 PKM (0.43) RAB9AALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL4129177 0.81 KAT6A (0.39) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL4119867 0.79 MAPT (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4132297 0.77 KMT2A (0.39) NPC1RAB9AALDH1A1CYP2C9SMN1; SMN2
SCHEMBL4120397 0.76 MAPT (0.38) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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 NPC1 53/4885RAB9A 167/4885ALDH1A1 1497/4885

“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.