SCHEMBL3630642

SCHEMBL3630642

CCCCc1cnc(C(=O)O)cc1NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GABRP O00591 1/20 0.47
GABRD O14764 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
SCHEMBL3625268 0.80 KDM4E (0.58) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL3623065 0.79 GABRP (0.56) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL7286265 0.77 GABRP (0.70) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL3627890 0.77 TSHR (0.50) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL3628755 0.77 KDM4E (0.50) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL11838519 0.75 KDM4E (0.49) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL11848212 0.75 TSHR (0.49) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL11844383 0.75 TSHR (0.49) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL11846398 0.74 TSHR (0.48) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL3631706 0.74 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1LMNACYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 EP claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 EP claimed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 WO claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
US-6559186-B1 Pain is treated topically by administering to the site where sympathetically maintained pain is present an alpha -1-adrenergic antagonist, alpha -2- adrenergic agonist, or other drug that depletes or blocks synthesis of sympathetic ARC 1, INC. 2003-05-06 US disclosed
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 EP disclosed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 EP disclosed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 WO disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 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 (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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH KDM4E 1203/4885MEN1 1837/4885ALDH1A1 100/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH KDM4E 935/4885MEN1 1138/4885ALDH1A1 114/4885

“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.