SCHEMBL4120953

SCHEMBL4120953

CN(Cc1cc(Sc2cccc(Br)c2)n(-c2cc(F)ccc2F)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A9 P48067 5/20 0.32
RIPK1 Q13546 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
CNR2 P34972 1/20 0.30
KIF11 P52732 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3700341 0.88 HTR2C (0.44) MAPTHTR2CSLC6A4HTR2ARIPK1
SCHEMBL3700345 0.87 MAPT (0.32) MAPTALDH1A1NPSR1CNR2
SCHEMBL4134984 0.83 SLC16A3 (0.36) MAPTALDH1A1NPSR1HTR2CSLC6A4
SCHEMBL4120959 0.82 MAPT (0.34) MAPTALDH1A1NPSR1RIPK1CNR2
SCHEMBL4131684 0.81 KCNQ3 (0.34) HTR2CSLC6A4HTR2ARIPK1CNR2
SCHEMBL3693917 0.80 RIPK1 (0.32) MAPTALDH1A1NPSR1RIPK1HTT
SCHEMBL4130894 0.79 SLC6A9 (0.36) MAPTHTR2CSLC6A4SLC6A9HTT
SCHEMBL3700342 0.79 RIPK1 (0.32) MAPTALDH1A1NPSR1RIPK1CNR2
SCHEMBL3700717 0.79 KMT2A (0.34) ALDH1A1HTR2CSLC6A4HTR2ARIPK1
SCHEMBL2836132 0.77 RIPK1 (0.36) MAPTALDH1A1NPSR1RIPK1CNR2

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 4258/4885ALDH1A1 1497/4885NPSR1 2001/4885

“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.