SCHEMBL10252596

SCHEMBL10252596

CN(CCN1CCCCC1)CCn1c(-c2ccc(OCc3ccccc3)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
EGFR P00533 2/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CCR5 P51681 1/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NR4A2 P43354 1/20 0.37
BACE1 P56817 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 SCHEMBL426990 0.99 EGFR (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10252729 0.94 EGFR (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL428399 0.94 EGFR (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL426002 0.91 NR4A2 (0.41) SMN1; SMN2KDM4EEGFRCCR5LTA4H
Hydrochloric Acid SCHEMBL426991 0.88 EGFR (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL427108 0.86 EGFR (0.45) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10252593 0.86 NPY1R (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL424109 0.85 NR4A2 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL424274 0.85 NPY1R (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10252715 0.85 HRH3 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NPC1 1268/4885RAB9A 1530/4885SMN1; SMN2 4383/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NPC1 1268/4885RAB9A 1530/4885SMN1; SMN2 4383/4885

“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.