SCHEMBL4787755

SCHEMBL4787755

Clc1cccc(Nc2nccc3sc(Br)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
PRNP P04156 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
EGFR P00533 12/20 0.51
TNF P01375 1/20 0.51
LCK P06239 1/20 0.50
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
ERBB2 P04626 2/20 0.48
GMNN O75496 1/20 0.45

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
SCHEMBL4738586 0.86 FADS1 (0.58) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL4787756 0.81 FADS1 (0.52) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL4933191 0.73 TNF (0.64) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL15755879 0.73 EGFR (0.47) FADS1KDM4EHTTEGFRTTBK1
SCHEMBL3185339 0.73 CDK4 (0.53) FADS1MEN1KMT2ANPC1HTT
SCHEMBL4742014 0.71 FADS1 (1.00) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL4785920 0.70 TTBK1 (0.65) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL4783154 0.70 KDM4E (1.00) FADS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL30456808 0.70 F2RL3 (0.35) CYP3A4MAPTEGFRLMNAMAPK1
SCHEMBL1774726 0.70 F2RL3 (0.35) CYP3A4MAPTEGFRLMNAMAPK1

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER 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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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

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 1059/4885KDM4E 4283/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDM4E 3229/4885MEN1 1919/4885

“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.