SCHEMBL4120959

SCHEMBL4120959

O=C(O)NCCc1cc(Sc2cccc(Br)c2)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.33
CNR1 P21554 3/20 0.33
RIPK1 Q13546 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4134986 0.83 SMN1; SMN2 (0.36) MAPTCNR1ALDH1A1NPSR1TP53
SCHEMBL4120953 0.82 MAPT (0.34) MAPTRIPK1ALDH1A1NPSR1CNR2
SCHEMBL3700342 0.82 RIPK1 (0.32) MAPTRIPK1ALDH1A1NPSR1TP53
SCHEMBL4131694 0.81 KCNQ3 (0.36) CNR1RIPK1POLBTP53NPC1
SCHEMBL3693917 0.81 RIPK1 (0.32) MAPTRIPK1ALDH1A1NPSR1
SCHEMBL4125768 0.80 ATM (0.35) MAPTCNR1RIPK1NPC1RAB9A
SCHEMBL3700345 0.79 MAPT (0.32) MAPTALDH1A1NPSR1TP53CNR2
SCHEMBL4130901 0.78 TP53 (0.34) MAPTLMNATP53
SCHEMBL2836132 0.78 RIPK1 (0.36) MAPTCNR1RIPK1ALDH1A1NPSR1
SCHEMBL2838319 0.77 THRB (0.43) MAPTLMNAALDH1A1NPSR1TP53

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 MAPT 4258/4885LMNA 4283/4885CNR1 938/4885

“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.