SCHEMBL4676956

SCHEMBL4676956

CCOC(=O)c1ccc(NC(=O)Oc2ccc(CSC(=O)N3CCNCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
NAMPT P43490 1/20 0.42

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
Hydrochloric Acid SCHEMBL5881510 0.99 RAB9A (0.47) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4680022 0.86 SMN1; SMN2 (0.47) RAB9AALDH1A1SMN1; SMN2MAPTTHRB
Hydrochloric Acid SCHEMBL4684420 0.85 SMN1; SMN2 (0.46) RAB9AALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL5881498 0.84 RAB9A (0.52) RAB9AALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4680476 0.83 RAB9A (0.51) RAB9AALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4683180 0.83 BCHE (0.42) RAB9ASMN1; SMN2NPC1MAPTTHRB
SCHEMBL4681191 0.82 NPSR1 (0.41) RAB9AALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4680912 0.81 NPSR1 (0.41) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL4681022 0.80 TPSAB1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL4681632 0.79 TPSAB1 (0.38) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 RAB9A 1070/4885ALDH1A1 4/4885SMN1; SMN2 1517/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 RAB9A 1070/4885ALDH1A1 4/4885SMN1; SMN2 1517/4885

“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.