SCHEMBL4131785

SCHEMBL4131785

CNCc1nc(-c2ccccc2F)n(S(=O)(=O)N2CCCC(C)C2)c1/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
HBB P68871 1/20 0.40
BAP1 Q92560 1/20 0.40
MEN1 O00255 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
AADAT Q8N5Z0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
RAC1 P63000 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAMPT P43490 2/20 0.32
LRRK2 Q5S007 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
SCHEMBL3694298 0.77 KMT2A (0.45) KMT2AALDH1A1MAPTHTTHBB
SCHEMBL3693095 0.70 KMT2A (0.43) KMT2AALDH1A1MAPTHTTHBB
Fumaric Acid SCHEMBL3696438 0.60 HTR6 (0.39) LMNASMN1; SMN2
Fumaric Acid SCHEMBL3696446 0.60 HTR6 (0.39) LMNASMN1; SMN2
SCHEMBL19734102 0.58 FABP6 (0.68) KMT2AALDH1A1MAPTMEN1TSHR
Fumaric Acid SCHEMBL3703509 0.57 RAB9A (0.36) KMT2AALDH1A1MAPTHTTMEN1
Fumaric Acid SCHEMBL3696949 0.57 FFAR1 (0.35) KMT2AALDH1A1MEN1KDM4ELMNA
Fumaric Acid SCHEMBL3696944 0.57 FFAR1 (0.35) KMT2AALDH1A1MEN1KDM4ELMNA
Fumaric Acid SCHEMBL3693956 0.56 AKR1C4 (0.33) KMT2AALDH1A1MAPTHTTMEN1
Fumaric Acid SCHEMBL3691868 0.56 FFAR1 (0.35) LMNASMN1; 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 KMT2A 4776/4885ALDH1A1 1497/4885MAPT 4258/4885

“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.