SCHEMBL4992372

SCHEMBL4992372

COc1cc(CC2=NCCN2)ccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.53
PTGIR P43119 1/20 0.48
RAD52 P43351 2/20 0.48
TAAR1 Q96RJ0 4/20 0.47
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 5/20 0.46
ADRA1D P25100 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1B P35368 4/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL4992378 0.82 ALDH1A1 (0.61) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL4986013 0.81 RAD52 (0.51) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL4994510 0.75 HTR1B (0.53) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL10777223 0.74 HTR1B (0.57) HTR1BPTGIRTAAR1CYP2D6NFKB1
SCHEMBL4994698 0.74 HTR1B (0.51) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL14092056 0.73 LMNA (0.52) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL12505503 0.72 LMNA (0.50) LMNAMKNK1MKNK2PARP15PARP10
SCHEMBL10267751 0.72 LMNA (0.50) LMNAMKNK1MKNK2PARP15PARP10
SCHEMBL5200788 0.71 HTR1B (0.51) HTR1BPTGIRRAD52TAAR1CYP2D6
SCHEMBL12970787 0.71 LMNA (0.56) NFKB1LMNATSHRMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US claimed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US claimed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 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 (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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 HTR1B 3920/4885PTGIR 2647/4885RAD52 1971/4885

“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.