SCHEMBL4738811

SCHEMBL4738811

Nc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 5/20 0.72
MAOB P27338 1/20 0.62
GRM5 P41594 1/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
P2RX1 P51575 1/20 0.57
P2RX4 Q99571 1/20 0.57
P2RX7 Q99572 1/20 0.57
CBR1 P16152 1/20 0.55
AKR1C3 P42330 1/20 0.55
GRM4 Q14833 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL2129113 0.84 FADS1 (0.71) FADS1MAOBGRM5NPC1RAB9A
SCHEMBL29406000 0.84 FADS1 (0.78) FADS1MAOBGRM5NPC1RAB9A
SCHEMBL472983 0.84 FADS1 (0.78) FADS1MAOBGRM5NPC1RAB9A
SCHEMBL15778699 0.79 FADS1 (0.68) FADS1MAOBGRM5NPC1RAB9A
SCHEMBL10244256 0.78 FADS1 (0.64) FADS1NPC1RAB9AP2RX1P2RX4
SCHEMBL15778718 0.77 FADS1 (0.74) FADS1NPC1RAB9AP2RX1P2RX4
SCHEMBL734944 0.77 NPC1 (0.64) FADS1NPC1RAB9ACBR1AKR1C3
SCHEMBL6232372 0.77 NPC1 (0.69) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL3327224 0.76 TMPRSS4 (0.65) FADS1NPC1RAB9AP2RX1P2RX4
SCHEMBL2701738 0.76 FADS1 (1.00) FADS1MAOBNPC1RAB9AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (2 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885MAOB 2494/4885GRM5 1063/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885MAOB 522/4885GRM5 1482/4885

“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.