SCHEMBL4123908

SCHEMBL4123908

O=C(O)NCCc1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
MAPK8 P45983 1/20 0.35
RIPK1 Q13546 2/20 0.35
SPR P35270 1/20 0.35
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 2/20 0.34
DGAT1 O75907 1/20 0.33
SCN9A Q15858 1/20 0.33
HIF1A Q16665 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 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
SCHEMBL4126946 0.93 KCNQ3 (0.35) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4135601 0.93 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4127374 0.93 SCN9A (0.37) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL2838664 0.91 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ARIPK1P2RX7
SCHEMBL4125531 0.90 CNR1 (0.40) KCNQ3KCNQ2P2RX7
SCHEMBL4131694 0.90 KCNQ3 (0.36) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4125753 0.89 CNR1 (0.34) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4130354 0.89 RXRA (0.32) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4123630 0.89 MDM2 (0.38) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL4118494 0.88 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9AKCNQ3KCNQ2

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 SMN1; SMN2 4327/4885NPC1 53/4885RAB9A 167/4885

“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.