SCHEMBL6838166

SCHEMBL6838166

O=C(NCC(c1ccc(CI)cc1)C(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
GPR139 Q6DWJ6 1/20 0.50
EPHX2 P34913 1/20 0.49
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5997623 0.87 SLC6A9 (0.51) GPR139CYP2C9MEN1KMT2AKDM4E
SCHEMBL5999559 0.82 SLC6A9 (0.51) MEN1KMT2A
SCHEMBL5999076 0.81 TACR1 (0.54) EPHX2TMEM97SIGMAR1
SCHEMBL5999513 0.80 NPC1 (0.52) HPGDGPR139MEN1KMT2APOLB
SCHEMBL5998832 0.80 TACR1 (0.66) GPR139
SCHEMBL5997782 0.77 RAB9A (0.47) HPGDHDAC1HDAC7MEN1KMT2A
SCHEMBL5998526 0.76 RAB9A (0.58) HPGDCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6839111 0.75 NPC1 (0.49) MEN1KMT2APOLBHTT
SCHEMBL23716319 0.74 HPGD (0.59) HPGDGPR139EPHX2CYP1A2CYP2C9
SCHEMBL5997936 0.72 ALDH1A1 (0.51) EPHX2CYP2C9CYP2C19KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US claimed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US claimed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US claimed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP claimed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 HPGD 189/4885GPR139 2403/4885EPHX2 618/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO HPGD 544/4885GPR139 2815/4885EPHX2 1231/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 HPGD 189/4885GPR139 2403/4885EPHX2 618/4885

“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.