SCHEMBL4986013

SCHEMBL4986013

NC(=O)c1ccc(CC2=NCCN2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.51
TAAR1 Q96RJ0 4/20 0.50
HTR1B P28222 4/20 0.50
CYP2D6 P10635 2/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 5/20 0.48
ADRA1D P25100 4/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
ADRA2A P08913 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
WDR5 P61964 1/20 0.40
PTGIR P43119 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL4992372 0.81 HTR1B (0.53) RAD52TAAR1HTR1BCYP2D6NFKB1
SCHEMBL953553 0.80 TAAR1 (0.60) RAD52TAAR1HTR1BCYP2D6NFKB1
SCHEMBL4986025 0.79 TAAR1 (0.56) RAD52TAAR1HTR1BCYP2D6NFKB1
SCHEMBL4990248 0.74 HTR1D (0.55) RAD52TAAR1HTR1BCYP2D6HTR1D
Nemazoline SCHEMBL953212 0.74 TAAR1 (0.53) RAD52TAAR1HTR1BCYP2D6NFKB1
Nemazoline SCHEMBL636058 0.73 TAAR1 (0.54) RAD52TAAR1HTR1BCYP2D6NFKB1
SCHEMBL4629679 0.72 TAAR1 (0.76) TAAR1HTR1BCYP2D6NFKB1HTR1D
SCHEMBL2869241 0.72 HTR1D (0.69) RAD52TAAR1HTR1BCYP2D6NFKB1
SCHEMBL6129594 0.71 PLA2G2A (0.56) ADRA1DLMNA
SCHEMBL4986340 0.71 RAD52 (0.51) RAD52TAAR1HTR1BCYP2D6NFKB1

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 RAD52 1971/4885TAAR1 3937/4885HTR1B 3920/4885

“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.