Sugi Predict

Sugi Predict / Compounds / SCHEMBL7101646

SCHEMBL7101646

SCHEMBL7101646

COc1ccc([N+](=O)[O-])c2c1C(c1cn(C(=O)OC(C)(C)C)cn1)=CCC2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ P2RX3 P56373 2/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ MET P08581 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL7103436 0.83 P2RX3 (0.36) ALDH1A1LMNAMAPTP2RX3GRM5
SCHEMBL7099249 0.78 P2RX3 (0.35) ALDH1A1LMNAMAPTP2RX3GRM5
SCHEMBL7097255 0.75 MET (0.36) ALDH1A1LMNAMAPTP2RX3MET
SCHEMBL7103695 0.73 SIRT6 (0.33) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17673956 0.70 RAB9A (0.52) ALDH1A1LMNAPKMMAPTCYP1A2
SCHEMBL7097233 0.69 GPR119 (0.35) ALDH1A1LMNAMAPTP2RX3MET
SCHEMBL7165797 0.69 MAPT (0.35) CCNT1CDK9ALDH1A1LMNAMAPT
SCHEMBL7100197 0.66 PARP1 (0.35) ALDH1A1LMNAMAPTP2RX3GRM5
SCHEMBL7102908 0.65 MEN1 (0.36) ALDH1A1PKMMAPTKMT2AMEN1
SCHEMBL17054327 0.64 GRM1 (0.49) CCNT1CDK9ALDH1A1LMNAMAPT

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-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

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 CCNT1 2678/4885CDK9 2799/4885ALDH1A1 263/4885

“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.