SCHEMBL12335337

SCHEMBL12335337

O=C(Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.67
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.60
UQCRB P14927 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
IDH2 P48735 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GRM4 Q14833 1/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL17311796 0.92 ALDH1A1 (0.70) NAMPTALDH1A1RAB9ANPC1MEN1
SCHEMBL17311790 0.86 MEN1 (0.73) NAMPTALDH1A1RAB9ANPC1LMNA
SCHEMBL29767881 0.84 UQCRB (0.64) NAMPTALDH1A1POLBUQCRBLMNA
SCHEMBL165317 0.84 NAMPT (0.90) NAMPT
SCHEMBL12010876 0.83 MEN1 (0.72) NAMPTALDH1A1LMNAGAAMEN1
SCHEMBL164039 0.82 NAMPT (0.73) NAMPTRAB9ANPC1LMNAMEN1
SCHEMBL162432 0.80 NAMPT (1.00) NAMPT
SCHEMBL12078328 0.80 NAMPT (0.80) NAMPTALDH1A1RAB9ANPC1LMNA
SCHEMBL12010902 0.80 MEN1 (0.72) NAMPTALDH1A1LMNAGAAMEN1
SCHEMBL10665495 0.80 RAB9A (0.79) NAMPTALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 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 (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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NAMPT 596/4885ALDH1A1 592/4885POLB 4109/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NAMPT 596/4885ALDH1A1 592/4885POLB 4109/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NAMPT 596/4885ALDH1A1 592/4885POLB 4109/4885

“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.