SCHEMBL4998178

SCHEMBL4998178

Cn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(O)cccc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.67
THRB P10828 1/20 0.67
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLA1 P09884 1/20 0.56
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
F10 P00742 8/20 0.50
F2 P00734 3/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL5001987 0.86 ALDH1A1 (0.53) RXFP1THRBMEN1KMT2AALDH1A1
SCHEMBL7943338 0.82 RXFP1 (0.59) RXFP1THRBMEN1KMT2AALDH1A1
SCHEMBL5001815 0.81 RXFP1 (0.61) RXFP1THRBMEN1KMT2AALDH1A1
SCHEMBL13838674 0.81 RXFP1 (1.00) RXFP1THRBMEN1KMT2AALDH1A1
SCHEMBL5008054 0.78 KDM4E (0.47) RXFP1MEN1KMT2AALDH1A1F10
SCHEMBL5981594 0.77 MAPT (0.58) RXFP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL5007922 0.75 L3MBTL1 (0.59) RXFP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL4998210 0.74 L3MBTL1 (0.55) RXFP1ALDH1A1NPSR1TP53LMNA
SCHEMBL2928038 0.74 KDM4E (0.47) RXFP1MEN1KMT2AALDH1A1TP53
SCHEMBL5002229 0.73 F10 (0.43) RXFP1THRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064143-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2006-06-20 US claimed
US-20050245595-A1 Positive modulators of nicotinic receptor agonists GURLEY DAVID 2005-11-03 US claimed
EP-1230218-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP claimed
WO-2001032622-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO claimed
US-7402604-B2 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-7064143-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20050245595-A1 Positive modulators of nicotinic receptor agonists GURLEY DAVID 2005-11-03 US disclosed
EP-1230218-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
WO-2001032622-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 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 (1 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-20050245595-A1 Positive modulators of nicotinic receptor agonists CHRM1, CHRM2, CHRNA1 RXFP1 107/4885THRB 167/4885MEN1 3018/4885

“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.