SCHEMBL4741004

SCHEMBL4741004

Clc1cccc(NC2CCc3ccc(-n4cccn4)cc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.58
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NOTUM Q6P988 1/20 0.41
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
JAK3 P52333 1/20 0.39
NTRK2 Q16620 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
BACE1 P56817 3/20 0.38
ADAM17 P78536 5/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
F10 P00742 2/20 0.35
ADAM10 O14672 2/20 0.35
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35

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
SCHEMBL4805296 0.80 FADS1 (0.78) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4785224 0.80 FADS1 (0.78) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4935956 0.77 FADS1 (0.59) FADS1MEN1KMT2ABACE1
SCHEMBL4740962 0.75 FADS1 (0.71) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4740963 0.75 FADS1 (0.71) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4785262 0.75 FADS1 (0.71) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4935777 0.74 FADS1 (1.00) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4741426 0.73 FADS1 (0.67) FADS1MEN1KMT2ABACE1KDM1A
SCHEMBL4797343 0.72 FADS1 (0.66) FADS1MEN1KMT2AKDM1AMAOA
SCHEMBL173839 0.69 NOTUM (0.63) MEN1KMT2ANOTUM

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 7 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-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885MEN1 3245/4885KMT2A 3920/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885MEN1 3106/4885KMT2A 2832/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885MEN1 1919/4885KMT2A 3148/4885

“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.