SCHEMBL4787149

SCHEMBL4787149

Clc1cccc(Nc2nc(N3CCOCC3)nc3ccccc23)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.68
ABL1 P00519 1/20 0.61
SRC P12931 1/20 0.61
LMNA P02545 2/20 0.59
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PDE5A O76074 3/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
PIK3CA P42336 1/20 0.54
MTOR P42345 1/20 0.54
JAK3 P52333 1/20 0.54
NTRK2 Q16620 1/20 0.54

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
SCHEMBL2590824 0.82 HTR2A (0.84) HTR2ALMNAKDM4EMEN1MAPT
SCHEMBL22201370 0.78 HTR2A (0.72) HTR2ALMNAKDM4EMEN1MAPT
SCHEMBL22201290 0.78 PIK3CA (0.65) HTR2AKDM4EMEN1MAPTMAPK1
SCHEMBL15986611 0.76 HTR2A (0.69) HTR2ALMNAKDM4EMEN1MAPT
SCHEMBL4740823 0.76 PDE5A (0.72) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL786651 0.76 HTR2A (0.59) HTR2ALMNAKDM4EMEN1MAPT
SCHEMBL3640590 0.75 PDE5A (0.84) HTR2AKDM4EMAPTMAPK1KMT2A
SCHEMBL4914853 0.75 PDE5A (0.57) LMNAKDM4EMEN1MAPTKMT2A
SCHEMBL3642979 0.75 HRH4 (0.75) HTR2ALMNAKDM4EMEN1MAPT
SCHEMBL19261422 0.75 PDE5A (0.70) KDM4EMEN1MAPTKMT2ASMN1; SMN2

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 HTR2A 1056/4885ABL1 2163/4885SRC 427/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL HTR2A 1756/4885ABL1 4054/4885SRC 3650/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG HTR2A 1983/4885ABL1 1600/4885SRC 2871/4885

“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.