SCHEMBL4223322

SCHEMBL4223322

COc1cc2c(cc1OC)CN(CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.55
ABCB1 P08183 2/20 0.54
TMEM97 Q5BJF2 3/20 0.53
HTR7 P34969 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL8982103 0.91 HTR7 (0.53) ABCB1TMEM97HTR7SIGMAR1
SCHEMBL4222537 0.88 ALDH1A1 (0.63) ALDH1A1POLBHTR7SIGMAR1MEN1
Hydrochloric Acid SCHEMBL4228567 0.87 SIGMAR1 (0.61) POLBTMEM97HTR7SIGMAR1
SCHEMBL8981452 0.86 HTR7 (0.58) ABCB1TMEM97HTR7SIGMAR1
SCHEMBL8982250 0.86 DRD4 (0.58) ABCB1HTR7
SCHEMBL8982140 0.86 SIGMAR1 (0.59) ABCB1TMEM97HTR7SIGMAR1
Hydrochloric Acid SCHEMBL4232329 0.86 HTR7 (0.70) ALDH1A1POLBHTR7MEN1KMT2A
SCHEMBL8983429 0.86 HTR7 (0.72) ABCB1TMEM97HTR7SIGMAR1
SCHEMBL8982167 0.86 HTR7 (0.59) POLBABCB1TMEM97HTR7SIGMAR1
Hydrochloric Acid SCHEMBL4228381 0.85 HTR7 (0.55) ALDH1A1HTR7SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A ALDH1A1 2903/4885POLB 3629/4885ABCB1 528/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A ALDH1A1 2903/4885POLB 3629/4885ABCB1 528/4885

“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.