SCHEMBL4786607

SCHEMBL4786607

COc1ccc(CNc2nn(Cc3ccc(OC)cc3)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ACHE P22303 4/20 0.52
CNR2 P34972 4/20 0.52
CNR1 P21554 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
EGFR P00533 2/20 0.49
IGF1R P08069 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 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
SCHEMBL1163283 0.84 CNR2 (0.56) MAPTACHECNR2CNR1NPC1
SCHEMBL2260826 0.76 EGFR (0.56) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL28149996 0.74 KMT2A (0.56) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL9909981 0.74 CNR2 (0.46) MAPTACHECNR2CNR1NPC1
SCHEMBL28030553 0.74 PDE5A (0.53) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL20401101 0.73 GLS (0.57) KMT2AMAPTMEN1CRHBPCRHR2
Hydrochloric Acid SCHEMBL3115929 0.73 EGFR (0.53) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL4982448 0.73 MAPT (0.57) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL2256396 0.73 CTNNB1 (0.55) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL3123194 0.72 KMT2A (0.56) KMT2AMAPTMEN1CRHBPCRHR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3920/4885MAPT 1069/4885MEN1 3245/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL KMT2A 2832/4885MAPT 4494/4885MEN1 3106/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG KMT2A 3148/4885MAPT 2635/4885MEN1 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.