SCHEMBL4123487

SCHEMBL4123487

Cc1ccc(CNNC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
FFAR1 O14842 1/20 0.53
LMNA P02545 3/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL8340802 0.86 SMN1; SMN2 (0.50) SMN1; SMN2FFAR1LMNAKMT2AMEN1
SCHEMBL10682559 0.84 SMN1; SMN2 (0.49) SMN1; SMN2FFAR1LMNAKMT2AMEN1
SCHEMBL24847549 0.83 CYP1A2 (0.54) SMN1; SMN2FFAR1LMNAKMT2AMEN1
SCHEMBL1653407 0.83 CYP1A2 (0.54) SMN1; SMN2FFAR1LMNAKMT2AMEN1
SCHEMBL6823508 0.82 KMT2A (0.62) SMN1; SMN2KMT2ARAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3467437 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL13738026 0.82 L3MBTL1 (0.50) FFAR1LMNAKMT2AMEN1HPGD
SCHEMBL1240060 0.82 ALDH1A1 (0.51) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL2495270 0.81 HTT (0.56) SMN1; SMN2FFAR1KMT2AMEN1NPC1
SCHEMBL4104911 0.81 ESRRG (0.67) LMNAKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (2 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD SMN1; SMN2 4345/4885FFAR1 10/4885LMNA 1519/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD SMN1; SMN2 4364/4885FFAR1 21/4885LMNA 1625/4885

“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.