SCHEMBL6445384

SCHEMBL6445384

[Sn]c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 4/20 0.54
PSMB8 P28062 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HCRTR1 O43613 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6445389 1.00 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL824375 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL29531707 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL10045305 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL474946 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL430870 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL129661 0.71 MAPT (0.59) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL9542349 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL22190326 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL1280187 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO disclosed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP disclosed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US disclosed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US disclosed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP disclosed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO 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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA NPC1 2613/4885RAB9A 4168/4885MAPT 2659/4885

“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.