SCHEMBL7040098

SCHEMBL7040098

CCN(CC)c1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.69
▸ MAPT P10636 8/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.63
▸ MAPK1 P28482 3/20 0.62
▸ POLB P06746 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ ALOX5 P09917 2/20 0.55
▸ CFTR P13569 3/20 0.51
▸ HTT P42858 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PSEN1 P49768 2/20 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
Bromide SCHEMBL6833529 0.99 VCP (0.68) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL12297322 0.90 ALOX5 (0.67) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL12298202 0.86 CYP1A2 (0.61) VCPMAPTMAPK1MEN1KMT2A
SCHEMBL12298062 0.85 MEN1 (0.67) MAPTMAPK1MEN1KMT2ARAB9A
SCHEMBL7262430 0.84 VCP (0.78) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL12297990 0.84 MEN1 (0.58) VCPMAPTMAPK1MEN1KMT2A
SCHEMBL12298081 0.84 ALOX5 (0.68) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL12298178 0.84 MEN1 (0.58) VCPMAPTNPSR1MAPK1POLB
SCHEMBL12298071 0.83 VCP (0.80) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL7263150 0.83 VCP (0.80) VCPMAPTKDM4ENPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-20030158199-A1 Novel compounds for inhibition of Tie-2 KYLIX, B.V. (NL) 2003-08-21 — — 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 (3 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 VCP 635/4885MAPT 10/4885KDM4E 4092/4885
US-20030158199-A1 Novel compounds for inhibition of Tie-2 TIE1, TEK, KDR VCP 4820/4885MAPT 4149/4885KDM4E 398/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 VCP 635/4885MAPT 10/4885KDM4E 4092/4885

“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.

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