SCHEMBL5128093

SCHEMBL5128093

Clc1ccccc1-n1[c]nnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
MGLL Q99685 1/20 0.37
NOTUM Q6P988 1/20 0.37
ADRB1 P08588 1/20 0.36
KCNN4 O15554 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PLA2G1B P04054 1/20 0.35
RAB9A P51151 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 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
SCHEMBL8626349 0.77 ALDH1A1 (0.42) MGLLADRB1KCNN4ALDH1A1LMNA
SCHEMBL4473341 0.77 MGLL (0.37) MGLLKCNN4ALDH1A1RAB9A
SCHEMBL11349994 0.70 KMT2A (0.39) MGLLALDH1A1RAB9ADRD4MEN1
SCHEMBL535608 0.69 MEN1 (0.39) BCHEMGLLNOTUMADRB1ALDH1A1
SCHEMBL535451 0.69 MGLL (0.37) BCHEMGLLNOTUMADRB1ALDH1A1
SCHEMBL5543224 0.68 NOTUM (0.47) NOTUMADRB1ALDH1A1KDM4ERAB9A
SCHEMBL535503 0.67 MGLL (0.35) BCHEMGLLNOTUMADRB1ALDH1A1
SCHEMBL1463930 0.65 RAB9A (0.40) ALDH1A1KDM4ERAB9ADRD2DRD4
SCHEMBL535848 0.65 BCHE (0.38) BCHEMGLLNOTUMADRB1ALDH1A1
SCHEMBL8516159 0.65 BCHE (0.45) BCHEMGLLNOTUMADRB1KCNN4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 BCHE 2854/4885MGLL 3155/4885NOTUM 3194/4885

“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.