SCHEMBL5127922

SCHEMBL5127922

Clc1ccc(Cl)c(-c2[c]ncnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
IDO1 P14902 3/20 0.40
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTPN11 Q06124 2/20 0.35
RAB9A P51151 1/20 0.35
DUSP3 P51452 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 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
SCHEMBL5119745 0.86 AHR (0.39) ALDH1A1RAB9ATP53HPGD
SCHEMBL5128528 0.80 RECQL (0.43) ALDH1A1RXFP1HPGD
SCHEMBL8171245 0.74 CYP19A1 (0.38)
SCHEMBL5121903 0.74 AHR (0.45) ALDH1A1RAB9AMAPT
SCHEMBL15566117 0.74 PDE4D (0.43) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL5128456 0.72 IDO1 (0.44) IDO1RAB9ATP53
SCHEMBL440944 0.67 TP53 (0.61) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL29364307 0.67 TP53 (0.61) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL5121042 0.66 ALDH1A1 (0.34) IDO1ALDH1A1RAB9ATP53HPGD
SCHEMBL4438343 0.64 TP53 (0.41) HTR2BPDE4DIDO1ALDH1A1RXFP1

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 HTR2B 798/4885PDE4D 3035/4885IDO1 3067/4885

“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.