SCHEMBL8780928

SCHEMBL8780928

CCNCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
TSHR P16473 1/20 0.55
MAPT P10636 3/20 0.53
CHRM2 P08172 1/20 0.51
CDC25C P30307 1/20 0.51
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48

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 SCHEMBL10353478 0.98 KCNH2 (0.59) KCNH2CA1CA2MEN1KMT2A
Dimethylamine SCHEMBL8780943 0.97 KCNH2 (0.57) KCNH2CA1CA2MEN1KMT2A
SCHEMBL8780821 0.90 CHRM2 (0.57) KCNH2CA1CA2MEN1KMT2A
SCHEMBL9628053 0.89 KCNH2 (0.73) KCNH2CA1CA2MEN1KMT2A
SCHEMBL11243777 0.88 CHRM2 (0.59) KCNH2CA1CA2MEN1KMT2A
SCHEMBL7939602 0.88 KCNH2 (0.63) KCNH2CA1CA2MEN1KMT2A
SCHEMBL8780888 0.85 KCNH2 (0.60) KCNH2CA1CA2MEN1KMT2A
SCHEMBL24002152 0.84 CHRM2 (0.68) KCNH2CA1CA2MEN1KMT2A
SCHEMBL16681892 0.84 CA1 (0.77) KCNH2CA1CA2MEN1KMT2A
SCHEMBL670267 0.83 TSHR (0.64) KCNH2TSHRMAPTALDH1A1KCNJ1

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed
WO-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KCNH2 2875/4885CA1 3677/4885CA2 3065/4885

“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.