SCHEMBL2923577

SCHEMBL2923577

Cc1cc(N2CCCC2)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.67
RAD52 P43351 2/20 0.67
MAPT P10636 8/20 0.61
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
HTT P42858 4/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 3/20 0.61
ALOX15 P16050 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
S100B P04271 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
PKM P14618 1/20 0.61
IP6K1 Q92551 1/20 0.54
HPGD P15428 2/20 0.51
KDM4E B2RXH2 4/20 0.49
RECQL P46063 3/20 0.49
PTK2B Q14289 2/20 0.49
THRB P10828 3/20 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
SCHEMBL8864170 0.98 GAA (0.65) GAARAD52MAPTALDH1A1MEN1
SCHEMBL6223137 0.98 GAA (0.65) GAARAD52MAPTALDH1A1MEN1
SCHEMBL6273294 0.98 GAA (0.65) GAARAD52MAPTALDH1A1MEN1
SCHEMBL7032717 0.96 GAA (0.67) GAARAD52MAPTALDH1A1MEN1
SCHEMBL6266805 0.94 GAA (0.70) GAARAD52MAPTALDH1A1MEN1
SCHEMBL15358759 0.92 GAA (0.77) GAARAD52MAPTALDH1A1MEN1
SCHEMBL6151434 0.92 GAA (0.77) GAARAD52MAPTALDH1A1MEN1
Sulfuric Acid SCHEMBL6651961 0.90 GAA (0.56) GAARAD52MAPTALDH1A1MEN1
SCHEMBL5203985 0.86 GAA (0.61) GAARAD52MAPTALDH1A1MEN1
SCHEMBL6254071 0.85 GAA (0.55) GAARAD52MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660982-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-05-10 CN disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
EP-0891765-B1 Oxidative hair dye compositions P & G CLAIROL INC (US) 2004-06-16 EP disclosed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 EP disclosed
CN-1407403-A Colour developing liquid treating agent composition for silver coloured camera photosensitive materials and method thereof FUJI PHOTO FILM CO LTD (JP) 2003-04-02 CN disclosed
EP-1122598-A2 Photographic processing composition containig a diaminostilbene derivative and image forming method using the same FUJI PHOTO FILM CO., LTD. (JP) 2001-08-08 EP disclosed
EP-0891765-A3 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 2000-01-05 EP disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 EP disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 EP disclosed
US-5851237-A Oxidative hair dye compositions and methods containing 1--(4-aminophenyl) pyrrolidines NOXELL CORPORATION 1998-12-22 US disclosed
US-5851237-A Oxidative hair dye compositions and methods containing 1--(4-aminophenyl) pyrrolidines NOXELL CORPORATION 1998-12-22 US disclosed
US-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 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 (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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GAA 454/4885RAD52 4217/4885MAPT 4269/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885RAD52 4217/4885MAPT 4269/4885

“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.