SCHEMBL1704969

SCHEMBL1704969

Cc1cc(OCC(F)(F)F)c(N)c(OCC(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
G6PD P11413 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AMD1 P17707 1/20 0.40
MBOAT4 Q96T53 3/20 0.37
NUDT1 P36639 3/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL4829264 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL6475032 0.86 MAPT (0.36) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL21756757 0.77 ALDH1A1 (0.42) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL1705478 0.75 CFTR (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL13575846 0.73 PIK3CA (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL17540643 0.73 MEN1 (0.42) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL14503000 0.72 CNR2 (0.40) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL28355273 0.71 ADORA2A (0.37) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL1705411 0.71 CNR2 (0.39) ALDH1A1KDM4EAMD1CYP1A2GLA
SCHEMBL15537771 0.70 ALDH1A1 (0.46) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518936-B2 Method for preparing acid addition salts of polyacidic basic compounds KOWA CO., LTD. (JP) 2013-08-27 US disclosed
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP disclosed
US-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS KOWA CO., LTD. (JP) 2010-09-16 US disclosed
US-7750150-B2 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2010-07-06 US disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2006-04-13 US disclosed
EP-1642899-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2006-04-05 EP disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 EP disclosed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 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-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS PGA5, NAAA, CA6 HSP90AA1 4506/4885HSP90AB1 4675/4885ALDH1A1 1557/4885
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 HSP90AA1 2612/4885HSP90AB1 2786/4885ALDH1A1 298/4885
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound CA5B, ASIC1, NAAA HSP90AA1 3806/4885HSP90AB1 4230/4885ALDH1A1 1334/4885
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound ACAT2, ACAT1, CYP7A1 HSP90AA1 3046/4885HSP90AB1 2824/4885ALDH1A1 586/4885

“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.