Sugi Predict

Sugi Predict / Compounds / SCHEMBL6416941

SCHEMBL6416941

SCHEMBL6416941

CCCc1cc(OC(=O)C2CCN(C(=O)CC(C)(C)SN=O)CC2)c(C)cc1OCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL6413365 0.88 TSHR (0.40) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL4694575 0.86 CYP1A2 (0.52) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL6419240 0.85 SMN1; SMN2 (0.34) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4697561 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1CYP1A2ADRA2A
SCHEMBL4694577 0.80 MEN1 (0.35) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4694686 0.79 CYP1A2 (0.35) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL4692851 0.74 CYP1A2 (0.38) SMN1; SMN2CYP1A2ADRA2ACYP2D6PKM
SCHEMBL4694902 0.74 CYP1A2 (0.38) SMN1; SMN2ALDH1A1CYP1A2ADRA2ACYP2D6
SCHEMBL4696863 0.74 MEN1 (0.37) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL4696861 0.73 CYP1A2 (0.56) SMN1; SMN2TSHRALDH1A1MEN1KMT2A

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-6469065-B1 COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE NITROMED, INC. 2002-10-22 — — US claimed
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds NITROMED, INC. (US) 2005-08-25 — — US disclosed
US-6469065-B1 COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE NITROMED, INC. 2002-10-22 — — US disclosed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 — — 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-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds ADRB1, ADRB3, ADRA1D SMN1; SMN2 1602/4885TSHR 1468/4885ALDH1A1 628/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D SMN1; SMN2 1516/4885TSHR 1408/4885ALDH1A1 610/4885

“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.