SCHEMBL5997623

SCHEMBL5997623

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.51
SLC6A5 Q9Y345 4/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
GPR139 Q6DWJ6 1/20 0.47
MAPT P10636 1/20 0.46
CYP24A1 Q07973 3/20 0.45
CYP27B1 O15528 2/20 0.45
NPC1 O15118 1/20 0.45
P2RX7 Q99572 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PRMT5 O14744 2/20 0.42
GCGR P47871 1/20 0.42

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
SCHEMBL5999559 0.88 SLC6A9 (0.51) SLC6A9SLC6A5MEN1KMT2ARAB9A
SCHEMBL6838166 0.87 HPGD (0.51) MEN1KMT2AKDM4EGPR139CYP2C9
SCHEMBL5999076 0.86 TACR1 (0.54) SLC6A9RAB9ASMN1; SMN2CYP24A1NPC1
SCHEMBL5998832 0.80 TACR1 (0.66) GPR139
SCHEMBL5998526 0.79 RAB9A (0.58) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL6839111 0.78 NPC1 (0.49) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL5996332 0.78 TP53 (0.54) SLC6A9SLC6A5MEN1KMT2ARAB9A
SCHEMBL5997936 0.75 ALDH1A1 (0.51) SLC6A9KMT2ARAB9AKDM4ECYP2D6
SCHEMBL5262774 0.74 SLC6A9 (0.54) SLC6A9SLC6A5MEN1KMT2ARAB9A
SCHEMBL14243641 0.73 SLC6A9 (0.51) SLC6A9SLC6A5RAB9ASMN1; SMN2KDM4E

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 17 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
CN-1123564-C Anti-inflammatory compounds ORTHO MCNEIL PHARMACEUTICAL CO (US) 2003-10-08 CN 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
CN-1249742-A Anti-inflammatory compounds ORTHO MCNEIL PHARMACEUTICAL CO (US) 2000-04-05 CN 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-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
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 SLC6A9 4876/4885SLC6A5 4875/4885MEN1 4487/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO SLC6A9 4701/4885SLC6A5 4536/4885MEN1 4335/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 SLC6A9 4876/4885SLC6A5 4875/4885MEN1 4487/4885

“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.