SCHEMBL3382445

SCHEMBL3382445

CCOC(=O)CNNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.48
PKM P14618 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
SCHEMBL4644817 0.88 ALDH1A1 (0.56) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL3817262 0.82 ALDH1A1 (0.51) THRBSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL27590392 0.80 CA1 (0.56) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL14499650 0.78 CA1 (0.54) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL31120657 0.76 CA1 (0.57) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL5201127 0.76 CA1 (0.57) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL29096884 0.73 CYP19A1 (0.56) THRBTDP1MEN1KMT2ACA1
SCHEMBL15488654 0.73 KMT2A (0.57) THRBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL6109028 0.73 ALDH1A1 (0.51) THRBSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL6109023 0.73 ALDH1A1 (0.51) THRBSMN1; SMN2MEN1KMT2AUSP2

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-7662999-B2 Recognition of oligosaccharide molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases NATIONAL INSTITUTES OF HEALTH (NIH) (US) 2010-02-16 US disclosed
EP-1945241-A2 TREATMENT OF PROLIFERATIVE DISORDERS WITHPOLYCATIONIC AGENTS MediQuest Therapeutics, Inc. (US) 2008-07-23 EP disclosed
US-20070232674-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES MEDIQUEST THERAPEUTICS, INC. (US) 2007-10-04 US disclosed
WO-2007048120-A2 TREATMENT OF PROLIFERATIVE DISORDERS WITH POLYCATIONIC AGENTS MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-26 WO disclosed
US-20070093424-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-26 US disclosed
US-7199267-B1 Recognition of oligiosaccaride molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-03 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 (2 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-20070232674-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES CD14, CD74, OSTC THRB 3544/4885SMN1; SMN2 3794/4885TDP1 3550/4885
US-20070093424-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES CD14, CD74, OSTC THRB 3544/4885SMN1; SMN2 3794/4885TDP1 3550/4885

“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.