SCHEMBL4739613

SCHEMBL4739613

Clc1cccc(Nc2cnnc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.63
EGFR P00533 4/20 0.52
LCK P06239 1/20 0.51
PDE5A O76074 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
ERBB2 P04626 1/20 0.47
PTK6 Q13882 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL1116308 0.82 KDM1A (0.48) EGFRPDE5AABCG2KDM4ESMN1; SMN2
SCHEMBL1116019 0.82 EGFR (0.63) FADS1EGFRABCG2
SCHEMBL1115913 0.79 EGFR (0.58) EGFRLCKKDM4ESMN1; SMN2ERBB2
SCHEMBL4740569 0.78 FADS1 (1.00) FADS1EGFRLCKERBB2PTK6
SCHEMBL4742006 0.75 TSHR (0.67) FADS1PDE5AABCG2NPC1MAPT
SCHEMBL3948184 0.75 FADS1 (0.69) FADS1EGFRLCKPDE5AABCG2
SCHEMBL2164209 0.75 EGFR (0.65) FADS1EGFRLCKPDE5AABCG2
SCHEMBL4738631 0.75 FADS1 (0.83) FADS1EGFRLCKPDE5AABCG2
SCHEMBL3759286 0.74 KDM1A (0.53) EGFRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4783313 0.73 EGFR (0.58) FADS1EGFRLCKPDE5AABCG2

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 1059/4885EGFR 1259/4885LCK 670/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885EGFR 2964/4885LCK 3307/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885LCK 3227/4885

“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.