SCHEMBL5997782

SCHEMBL5997782

O=C(NCC(c1ccc(CI)cc1)C(c1ccccc1)c1ccccc1)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KCNA3 P22001 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.39

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 0.84 SLC6A9 (0.51) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5999076 0.80 TACR1 (0.54) RAB9ANPC1SMN1; SMN2
SCHEMBL5997623 0.80 SLC6A9 (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5998832 0.79 TACR1 (0.66)
SCHEMBL5997936 0.79 ALDH1A1 (0.51) RAB9AKMT2ALMNAALDH1A1KDM4E
SCHEMBL5998526 0.78 RAB9A (0.58) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6839111 0.77 NPC1 (0.49) RAB9ANPC1KCNA3MEN1KMT2A
SCHEMBL6838166 0.77 HPGD (0.51) MEN1KMT2AKDM4EHDAC1HDAC7
SCHEMBL6939708 0.74 MAPK1 (0.39) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL5998217 0.73 TACR1 (0.51) RAB9ANPC1KCNA3

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-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-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 RAB9A 3661/4885NPC1 1491/4885KCNA3 4136/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO RAB9A 3374/4885NPC1 1914/4885KCNA3 3225/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 RAB9A 3661/4885NPC1 1491/4885KCNA3 4136/4885

“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.