SCHEMBL3628609

SCHEMBL3628609

CCCCc1ccc(C(=O)NN)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.69
ALDH1A1 P00352 4/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
PKM P14618 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
THPO P40225 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52

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
SCHEMBL31277648 0.95 ALDH1A1 (0.63) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL14885214 0.88 NFKB1 (0.69) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7794120 0.88 NFKB1 (0.69) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL31277623 0.88 NFKB1 (0.69) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4814811 0.84 NFKB1 (0.61) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1756311 0.84 NFKB1 (0.73) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
Bupicomide SCHEMBL125601 0.84 NFKB1 (0.73) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL11874297 0.83 NFKB1 (0.78) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4821651 0.82 NFKB1 (0.76) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
Fusaric Acid SCHEMBL8606376 0.82 ALDH1A1 (1.00) NFKB1ALDH1A1L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 WO claimed
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
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 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
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 WO disclosed
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
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
EP-0139917-A1 Pharmaceutical preparations, acylated hydrazine derivatives, methods for their preparation CIBA-GEIGY AG (CH) 1985-05-08 EP 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 NFKB1 3277/4885ALDH1A1 100/4885L3MBTL1 1460/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH NFKB1 3914/4885ALDH1A1 114/4885L3MBTL1 2004/4885

“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.