SCHEMBL4738601

SCHEMBL4738601

Clc1cccc(Nc2nc(NCc3ccccc3)nc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.62
PDE5A O76074 4/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
SOS1 Q07889 1/20 0.61
KDM4E B2RXH2 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.60
UBE2N P61088 1/20 0.60
KMT2A Q03164 1/20 0.60
RCE1 Q9Y256 1/20 0.60
APP P05067 3/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPY5R Q15761 2/20 0.56
NTRK1 P04629 1/20 0.56
FADS1 O60427 1/20 0.55
EGFR P00533 1/20 0.55

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
SCHEMBL2583209 0.91 SOS1 (0.72) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2592287 0.88 SOS1 (0.71) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2588890 0.87 SOS1 (0.70) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2590218 0.86 SOS1 (0.66) RAD52PDE5AABCG2SOS1KDM4E
SCHEMBL2587383 0.86 RAD52 (0.76) RAD52PDE5AKDM4ELMNAMAPT
SCHEMBL2590759 0.85 NPY5R (0.76) PDE5AABCG2SOS1KDM4EMAPT
SCHEMBL2584997 0.85 SOS1 (0.65) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2588902 0.84 SOS1 (0.66) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2587225 0.84 SOS1 (0.66) RAD52PDE5ASOS1KDM4ELMNA
SCHEMBL2587460 0.83 SOS1 (0.65) RAD52PDE5ASOS1KDM4ELMNA

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-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-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-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 (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 RAD52 3244/4885PDE5A 625/4885ABCG2 4326/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL RAD52 380/4885PDE5A 3351/4885ABCG2 4056/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG RAD52 3872/4885PDE5A 223/4885ABCG2 2597/4885

“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.