Sugi Predict

Sugi Predict / Compounds / SCHEMBL7149878

SCHEMBL7149878

SCHEMBL7149878

CCCn1cnc(C2=CCCc3c2ccc(OC)c3[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP1A2 P05177 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33

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
SCHEMBL7103698 0.92 ALDH1A1 (0.39) ALDH1A1PKMCYP1A2MAPTCYP2C19
SCHEMBL7102908 0.87 MEN1 (0.36) ALDH1A1PKMCYP1A2MAPTCYP2C19
SCHEMBL7098652 0.79 CYP1A2 (0.33) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7102993 0.77 MEN1 (0.37) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7102160 0.74 HTR1A (0.36) ALDH1A1CYP1A2MAPTCYP2C19CYP3A4
SCHEMBL7142509 0.73 CYP1A2 (0.37) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7165797 0.70 MAPT (0.35) ALDH1A1CYP1A2MAPTCYP2C19CYP3A4
SCHEMBL6113057 0.67 CYP1A2 (0.43) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7102085 0.67 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL8731922 0.66 MAPT (0.41) ALDH1A1CYP1A2MAPTCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 — — US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 — — US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 — — EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 — — WO disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 — — EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 — — WO 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ALDH1A1 263/4885PKM 3852/4885CYP1A2 587/4885

“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.