SCHEMBL6142633

SCHEMBL6142633

Cc1c([N+](=O)[O-])ccc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
MET P08581 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 2/20 0.34
CTSB P07858 2/20 0.34
HTT P42858 3/20 0.33
P2RX3 P56373 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27523568 0.86 ALDH1A1 (0.37) ALDH1A1LMNAMAPTMETTDP1
SCHEMBL15208581 0.84 ALDH1A1 (0.36) ALDH1A1LMNAMAPTMETKDM4E
SCHEMBL2860553 0.84 MET (0.40) ALDH1A1LMNAMAPTMETTDP1
SCHEMBL20916666 0.82 FBP1 (0.36) ALDH1A1LMNAMAPTMETTDP1
SCHEMBL6581323 0.81 HTT (0.39) ALDH1A1LMNAMAPTMETTDP1
SCHEMBL6142331 0.79 HSP90AA1 (0.37) MAPTTSHRSMN1; SMN2GPR119MEN1
SCHEMBL6954330 0.79 MAPT (0.36) ALDH1A1LMNAMAPTMETTDP1
SCHEMBL7345451 0.78 STS (0.38) ALDH1A1TSHRGPR119MEN1KMT2A
SCHEMBL15208411 0.75 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL25339042 0.74 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMETTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP disclosed
EP-0944601-B1 GUANIDINYLAMINO HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2003-02-12 EP disclosed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US disclosed
US-6436978-B1 FOR PREVENTING OR TREATING DISORDERS MODULATED BY ALPHA-2 ADRENOCEPTORS THE PROCTER & GAMBLE CO. 2002-08-20 US disclosed
US-20020095039-A1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-07-18 US disclosed
US-6391878-B2 COMPOUNDS SUCH AS (4,7-DIMETHYLBENZIMIDAZOL-5-YL)GUANIDINE; TREATING NASAL CONGESTION, OTITIS MEDIA, ASTHMA, PAIN, MIGRAINE, GASTROINTESTINAL DISORDER, ULCER THE PROCTER & GAMBLE COMPANY 2002-05-21 US disclosed
US-20020028950-A1 Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-03-07 US disclosed
US-6306877-B1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE CO. 2001-10-23 US disclosed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US disclosed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US disclosed
US-6172095-B1 DECONGESTANTS, ANALGESICS, HYPOTENSIVE AGENTS; TREATING HEADACHES, OTITIS MEDIA, SINUSITUS, GASTROINTESTINAL AND RESPIRATORY SYSTEM DISORDERS; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY 2001-01-09 US disclosed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 US disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 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 (4 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-20020095039-A1 Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 652/4885LMNA 772/4885MAPT 318/4885
US-20020028950-A1 Guanidinylamino heterocycle compunds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 655/4885LMNA 1351/4885MAPT 652/4885
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer ADRB2, ADRA2C, ADRA2B ALDH1A1 1083/4885LMNA 954/4885MAPT 938/4885
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 722/4885LMNA 849/4885MAPT 312/4885

“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.