SCHEMBL3607119

SCHEMBL3607119

Nc1ccccc1Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
GAA P10253 6/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
APP P05067 1/20 0.52
ALOX15 P16050 1/20 0.52
SNCA P37840 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL29414658 1.00 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3147293 0.85 MAPT (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL396120 0.85 CXCL8 (0.55) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL29793294 0.85 CXCL8 (0.55) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2677107 0.85 MAPT (0.71) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4064030 0.83 GAA (0.52) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3606443 0.82 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4946590 0.82 GAA (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL29581577 0.82 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL11901667 0.82 CCNC (0.50) MAPTGAAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 US disclosed
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 US disclosed
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 US disclosed
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
EP-0698014-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-28 EP disclosed
EP-0694040-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
WO-1994025444-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO SPA (IT) 1994-11-10 WO disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
WO-1994024151-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 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 (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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 74/4885GAA 462/4885ALDH1A1 538/4885
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS SLC6A2, SLC6A4, TPH1 MAPT 282/4885GAA 429/4885ALDH1A1 299/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 74/4885GAA 462/4885ALDH1A1 538/4885
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, TPH1 MAPT 127/4885GAA 479/4885ALDH1A1 566/4885

“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.