SCHEMBL4602391

SCHEMBL4602391

Clc1ccc(-c2ccc(COc3ccc(CSCCn4ccnn4)cc3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
GRM2 Q14416 1/20 0.36
DHFR P00374 1/20 0.35
CYP11B1 P15538 1/20 0.34
MAOB P27338 2/20 0.33
APP P05067 1/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4600598 0.84 ATP4A (0.37) ATP4AATP4BSMN1; SMN2TP53DHFR
SCHEMBL4600213 0.84 ERBB2 (0.43) ATP4AATP4BMCHR1SMN1; SMN2GRM2
SCHEMBL4599923 0.76 ATP4A (0.37) ATP4AATP4BMCHR1SMN1; SMN2GRM2
SCHEMBL4591252 0.75 ATP4A (0.37) ATP4AATP4BSMN1; SMN2MAPTRAB9A
SCHEMBL26316726 0.74 RAB9A (0.46) ATP4AATP4BSMN1; SMN2CYP11B1MAPT
SCHEMBL4600673 0.73 ERBB2 (0.42) ATP4AATP4BMAPT
SCHEMBL4606806 0.73 ERBB2 (0.61) SMN1; SMN2TP53L3MBTL1
SCHEMBL4606810 0.73 ERBB2 (0.61) SMN1; SMN2TP53L3MBTL1
SCHEMBL4599530 0.72 ALDH1A1 (0.38) ATP4AATP4BSMN1; SMN2POLBMAPT
SCHEMBL5005698 0.72 ERBB2 (0.58) ATP4AATP4BMAOBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US claimed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP claimed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US claimed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD ATP4A 583/4885ATP4B 688/4885MCHR1 4261/4885

“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.