SCHEMBL6445381

SCHEMBL6445381

[SnH]c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 5/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 4/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PSMB8 P28062 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
GAA P10253 2/20 0.47
HCRTR1 O43613 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL824375 0.77 NPC1 (0.69) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL29531707 0.77 NPC1 (0.69) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL6445389 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL6445384 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL129661 0.71 MAPT (0.59) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL474946 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL10045305 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL9542349 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL1280187 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL22190326 0.71 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476674-A Coumarin compound and its purposes as fluorescent marker 伊鲁米纳剑桥有限公司 2019-03-15 CN disclosed
CN-101506201-B Novel heteroaryl-substituted benzazoles derivatives ASTRAZENECA AB 2012-03-14 CN disclosed
CN-101506201-A Novel heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
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.