SCHEMBL4123630

SCHEMBL4123630

O=C(O)NCCc1cc(Sc2ccc(Cl)nc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.38
RIPK1 Q13546 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
DGAT1 O75907 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL4135601 0.93 SMN1; SMN2 (0.34) MDM2RIPK1SMN1; SMN2NPC1RAB9A
SCHEMBL4118494 0.92 SMN1; SMN2 (0.33) RIPK1SMN1; SMN2NPC1RAB9AKCNQ3
SCHEMBL2838664 0.91 SMN1; SMN2 (0.38) RIPK1SMN1; SMN2NPC1RAB9ADGAT1
SCHEMBL4126946 0.89 KCNQ3 (0.35) SMN1; SMN2NPC1RAB9APOLBKCNQ3
SCHEMBL4127374 0.89 SCN9A (0.37) RIPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4123908 0.89 SMN1; SMN2 (0.37) RIPK1SMN1; SMN2NPC1RAB9AKCNQ3
SCHEMBL4120313 0.88 MDM2 (0.38) MDM2RIPK1SMN1; SMN2NPC1RAB9A
SCHEMBL4136940 0.86 KCNQ3 (0.34) SMN1; SMN2NPC1RAB9APOLBKCNQ3
SCHEMBL4131694 0.85 KCNQ3 (0.36) MDM2RIPK1SMN1; SMN2NPC1RAB9A
SCHEMBL4125531 0.85 CNR1 (0.40) KCNQ3KCNQ2

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 MDM2 4783/4885RIPK1 4203/4885SMN1; SMN2 4327/4885

“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.