SCHEMBL3899331

SCHEMBL3899331

CC(=O)Nc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
NTRK1 P04629 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM3 P20309 4/20 0.49
MAOA P21397 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP1 P09874 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
SCHEMBL99181 0.85 ALDH1A1 (0.59) CYP2C19ALDH1A1LMNAKDM4EHPGD
SCHEMBL1443816 0.85 MAOA (0.53) CYP2C19NPC1RAB9ASLC6A4SLC6A3
SCHEMBL3910619 0.84 ALDH1A1 (0.57) NPC1RAB9ASLC6A4SLC6A3ALDH1A1
SCHEMBL5213661 0.84 ALDH1A1 (0.56) CYP2C19NPC1RAB9AALDH1A1LMNA
SCHEMBL21522574 0.84 ALDH1A1 (0.52) CYP2C19NPC1RAB9AALDH1A1LMNA
SCHEMBL13960511 0.83 HDAC1 (0.51) CYP2C19NPC1RAB9AALDH1A1LMNA
SCHEMBL31500633 0.83 HSP90AA1 (0.57) CYP2C19NPC1RAB9ASLC6A4SLC6A3
SCHEMBL5214121 0.83 HSP90AA1 (0.57) CYP2C19NPC1RAB9ASLC6A4SLC6A3
SCHEMBL5213400 0.82 ALDH1A1 (0.59) NPC1RAB9ASLC6A4SLC6A3ALDH1A1
SCHEMBL13235760 0.82 TACR1 (0.57) CYP2C19RAB9AALDH1A1NTRK1KDM4E

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-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US disclosed
EP-1856151-A2 ESTROGEN RECEPTOR STRUCTURE Wyeth (US) 2007-11-21 EP disclosed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
EP-1758866-A1 PROCESSES FOR PREPARING 6-ALKYL-5-ARYLSULFONYL- DIHYDROPHENANTHRIDINES Wyeth (US) 2007-03-07 EP disclosed
WO-2006078733-A2 ESTROGEN RECEPTOR STRUCTURE WYETH (US) 2006-07-27 WO disclosed
US-20060160836-A1 Estrogen receptor structure WYETH 2006-07-20 US disclosed
US-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2006-02-02 US disclosed
WO-2006009831-A1 PROCESSES FOR PREPARING 6-ALKYL-5-ARYLSULFONYL- DIHYDROPHENANTHRIDINES WYETH (US) 2006-01-26 WO disclosed
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors WYETH (US) 2005-05-26 US disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US disclosed
WO-2005039581-A1 USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE WYETH (US) 2005-05-06 WO disclosed
WO-2005039583-A1 METHOD OF TREATING RHEUMATOID ARTHRITIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
WO-2005039582-A1 METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 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 (6 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-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG CYP2C19 4005/4885NPC1 4646/4885RAB9A 4071/4885
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG CYP2C19 3669/4885NPC1 2070/4885RAB9A 4731/4885
US-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines QDPR, RPS9, RPS4Y1 CYP2C19 171/4885NPC1 4494/4885RAB9A 99/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG CYP2C19 2526/4885NPC1 3842/4885RAB9A 4479/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 CYP2C19 2958/4885NPC1 3397/4885RAB9A 1423/4885
US-20060160836-A1 Estrogen receptor structure ESR2, ESR1, ESRRG CYP2C19 1579/4885NPC1 3510/4885RAB9A 3807/4885

“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.