SCHEMBL5998526

SCHEMBL5998526

O=C(NCC(c1ccc(CI)cc1)C(c1ccccc1)c1ccccc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6839111 0.83 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5999076 0.79 TACR1 (0.54) RAB9ANPC1SMN1; SMN2OPRM1
SCHEMBL5997623 0.79 SLC6A9 (0.51) RAB9ANPC1SMN1; SMN2CYP2C9MEN1
SCHEMBL5997782 0.78 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5998358 0.77 HPGD (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31530573 0.77 RAB9A (0.78) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6838166 0.76 HPGD (0.51) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5998832 0.76 TACR1 (0.66)
SCHEMBL28928814 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL5997936 0.73 ALDH1A1 (0.51) RAB9ACYP2C9CYP2C19KMT2AALDH1A1

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-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 1491/4885SMN1; SMN2 4242/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO RAB9A 3374/4885NPC1 1914/4885SMN1; SMN2 3101/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 RAB9A 3661/4885NPC1 1491/4885SMN1; SMN2 4242/4885

“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.