SCHEMBL24506847

SCHEMBL24506847

CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ PDE5A O76074 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PDE1B Q01064 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE7A Q13946 1/20 0.56
▸ PDE1C Q14123 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL29384364 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499557 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL29382037 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499576 0.85 PKM (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL22499584 0.84 CA12 (0.47) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL22499540 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL29381969 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499635 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499544 0.76 KMT2A (0.41) ALDH1A1APEX1SMN1; SMN2KMT2AMAPT
Hydrochloric Acid SCHEMBL10893469 0.74 SMN1; SMN2 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2022-06-16 — — 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-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION SLC6A1, SLC6A13, SLC6A11 ALDH1A1 2711/4885CYP3A4 4711/4885PDE2A 455/4885

“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.

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