SCHEMBL4676873

SCHEMBL4676873

O=C(Nc1ccc(F)c(Cl)c1)Oc1ccc(CSC(=O)N2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP4 P15090 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC2A1 P11166 1/20 0.37

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 SCHEMBL4677709 0.99 MAPT (0.43) MAPTHPGDHTTNPC1RAB9A
SCHEMBL4680022 0.82 SMN1; SMN2 (0.47) MAPTHTTRAB9ASMN1; SMN2LMNA
SCHEMBL5881498 0.82 RAB9A (0.52) MAPTHTTRAB9ASMN1; SMN2LMNA
SCHEMBL4681191 0.82 NPSR1 (0.41) MAPTHTTRAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL4684420 0.81 SMN1; SMN2 (0.46) MAPTHTTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4680476 0.81 RAB9A (0.51) MAPTHTTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4683180 0.81 BCHE (0.42) MAPTHPGDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4680912 0.81 NPSR1 (0.41) MAPTHTTRAB9ALMNAMEN1
SCHEMBL4676956 0.77 RAB9A (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5881510 0.77 RAB9A (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2

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 MAPT 2976/4885HPGD 3600/4885HTT 3697/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 MAPT 2976/4885HPGD 3600/4885HTT 3697/4885

“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.