SCHEMBL4786338

SCHEMBL4786338

COc1ccc(Cn2nc(Nc3cc(Cl)cc(Cl)c3)c3cc(OC)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 7/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDR P35968 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
FADS1 O60427 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL4785627 0.90 KDR (0.54) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4786473 0.87 BUB1 (0.50) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4785513 0.84 FADS1 (0.53) BUB1KDRMAPTALDH1A1LMNA
SCHEMBL4813171 0.84 FADS1 (0.50) BUB1KDRLMNASMN1; SMN2KMT2A
SCHEMBL4742251 0.83 FADS1 (0.51) BUB1KDRLMNASMN1; SMN2KMT2A
SCHEMBL4785917 0.81 FADS1 (0.49) BUB1KDRMAPTALDH1A1LMNA
SCHEMBL4786591 0.80 FADS1 (0.48) BUB1KDRMAPTALDH1A1FADS1
SCHEMBL4787271 0.80 FADS1 (0.48) BUB1KDRKMT2AFADS1
SCHEMBL4806961 0.79 BUB1 (0.51) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4741728 0.77 FADS1 (0.55) KDRMAPTALDH1A1LMNASMN1; SMN2

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 BUB1 3631/4885CNR1 247/4885CNR2 89/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG BUB1 3637/4885CNR1 890/4885CNR2 613/4885

“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.