SCHEMBL6711341

SCHEMBL6711341

CCCc1nn(CCN2C(=O)c3ccccc3C2=O)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 7/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PDE5A O76074 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6713099 0.91 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1POLBKDM4EHTT
SCHEMBL6403255 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL1196 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1POLBHTTNPC1
SCHEMBL6717840 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EHTTNPC1
SCHEMBL1115 0.74 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1PDE5ANPC1RAB9A
SCHEMBL6712783 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EHTTNPC1
SCHEMBL6338203 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL5411887 0.70 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBNPC1KMT2A
SCHEMBL8187253 0.69 MAPT (0.39) SMN1; SMN2ALDH1A1POLBPDE5ANPC1
SCHEMBL7847021 0.69 SMN1; SMN2 (0.90) SMN1; SMN2NPC1RAB9AKMT2ALMNA

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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-1085893-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064033-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 SMN1; SMN2 4046/4885ALDH1A1 1021/4885POLB 1225/4885

“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.