SCHEMBL11888654

SCHEMBL11888654

O=C(CSS(=O)(=O)O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.65
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
MTNR1A P48039 2/20 0.60
MMP9 P14780 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
SIRT1 Q96EB6 1/20 0.56

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
SCHEMBL13255321 0.88 MEN1 (0.68) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7677886 0.80 MEN1 (0.84) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL10069200 0.80 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL5903804 0.80 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6424904 0.79 AANAT (0.75) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6424908 0.79 AANAT (1.00) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL20227977 0.79 AANAT (0.75) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL31114206 0.79 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL761155 0.79 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6703004 0.79 AANAT (0.75) AANATMEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 AANAT 238/4885MEN1 984/4885KMT2A 4156/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK AANAT 88/4885MEN1 2290/4885KMT2A 995/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 AANAT 238/4885MEN1 984/4885KMT2A 4156/4885

“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.