SCHEMBL5333390

SCHEMBL5333390

COc1cc(OC)cc(N(C)C(=O)Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD17B2 P37059 2/20 0.40
HSD17B1 P14061 1/20 0.40
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
RXRA P19793 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CALM1 P0DP23 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30833332 0.87 MAPT (0.40) ALDH1A1HSD17B2HSD17B1KMT2AMEN1
SCHEMBL9956630 0.82 HSD17B2 (0.60) HSD17B2HSD17B1
SCHEMBL18612985 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B2HSD17B1KMT2APOLB
SCHEMBL29460229 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B2HSD17B1KMT2APOLB
SCHEMBL31034446 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B2HSD17B1KMT2APOLB
SCHEMBL11854125 0.80 ALDH1A1 (0.51) ALDH1A1KMT2APOLBHSP90AA1PDK1
SCHEMBL17460819 0.78 HSP90AA1 (0.50) ALDH1A1HSD17B2HSD17B1KMT2APOLB
SCHEMBL28391490 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B2HSD17B1KMT2ARXRA
SCHEMBL18593560 0.72 TSPO (0.48) ALDH1A1HSD17B2HSD17B1KMT2APOLB
SCHEMBL30743887 0.72 MTNR1A (0.50) HSD17B2HSD17B1

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-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
CN-1638761-A Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2005-07-13 CN disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 ALDH1A1 2840/4885HSD17B2 3607/4885HSD17B1 4134/4885

“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.