SCHEMBL4510708

SCHEMBL4510708

Cc1cc(OCC(F)(F)F)c(NC(=O)CN2CCN(CCSc3nc4cc(F)ccc4[nH]3)CC2)c(OCC(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.53
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ENPP1 P22413 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL4510715 0.95 SOAT1 (0.52) SOAT1ALDH1A1TSHRKDM4EENPP1
SCHEMBL1704629 0.92 SOAT1 (0.64) SOAT1TSHRLMNAMAPTNPC1
Hydrochloric Acid SCHEMBL1704598 0.91 SOAT1 (0.64) SOAT1TSHRLMNAMAPTNPC1
SCHEMBL1704605 0.91 SOAT1 (0.51) SOAT1ALDH1A1TSHRKDM4EENPP1
Hydrochloric Acid SCHEMBL1704617 0.90 SOAT1 (0.51) SOAT1ALDH1A1TSHRKDM4EENPP1
SCHEMBL14502991 0.90 SOAT1 (0.49) SOAT1ALDH1A1TSHRKDM4EENPP1
SCHEMBL14503004 0.81 SOAT1 (0.51) SOAT1ALDH1A1TSHRKDM4EENPP1
SCHEMBL4506878 0.79 KDM4E (0.42) SOAT1ALDH1A1TSHRKDM4EHPGD
SCHEMBL1704650 0.79 SOAT1 (0.63) SOAT1ALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1705124 0.78 SOAT1 (0.62) SOAT1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US claimed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 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-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 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-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 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
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (3 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-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound ACAT2, ACAT1, CYP7A1 SOAT1 223/4885ALDH1A1 586/4885TSHR 3355/4885
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 SOAT1 1314/4885ALDH1A1 45/4885TSHR 4104/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885ALDH1A1 146/4885TSHR 4300/4885

“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.