SCHEMBL848798

SCHEMBL848798

Cc1cc(C(=O)N2CCCC2)ccc1Br

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.77
TSHR P16473 1/20 0.74
PLA2G7 Q13093 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 2/20 0.55
CNR2 P34972 1/20 0.54
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 2/20 0.51
MGLL Q99685 1/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL2376496 0.98 HPGD (0.77) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL2378485 0.98 HPGD (0.77) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL9300442 0.97 HPGD (0.71) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL849340 0.87 HPGD (0.59) HPGDTSHRALDH1A1KMT2APOLB
SCHEMBL2378109 0.86 HPGD (0.67) HPGDTSHRALDH1A1KMT2APOLB
SCHEMBL850574 0.84 HSP90AA1 (0.59) HPGDTSHRALDH1A1KMT2ACNR2
SCHEMBL848003 0.84 HPGD (0.56) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL12569383 0.84 HPGD (0.73) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL22138255 0.83 HPGD (0.67) HPGDTSHRPLA2G7ALDH1A1KMT2A
SCHEMBL24556567 0.83 AKR1C1 (0.59) HPGDTSHRPLA2G7ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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 (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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 HPGD 1383/4885TSHR 3412/4885PLA2G7 2263/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 HPGD 1048/4885TSHR 2760/4885PLA2G7 809/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 HPGD 1048/4885TSHR 2760/4885PLA2G7 809/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885TSHR 914/4885PLA2G7 4098/4885

“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.