SCHEMBL6074890

SCHEMBL6074890

CC(C)C(=O)Nc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CHEK1 O14757 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
TRPM4 Q8TD43 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
STAT3 P40763 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CHEK2 O96017 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL4747449 0.86 TSHR (0.54) MEN1KMT2ACHEK1ALDH1A1MAPT
SCHEMBL4221398 0.86 TSHR (0.54) MEN1KMT2ACHEK1ALDH1A1MAPT
SCHEMBL4216723 0.84 CCR1 (0.45) MEN1KMT2ACHEK1ALDH1A1NPSR1
SCHEMBL4634082 0.84 CCR1 (0.45) MEN1KMT2ACHEK1ALDH1A1NPSR1
SCHEMBL1951762 0.77 TSHR (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3222025 0.77 TSHR (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13390934 0.76 KMT2A (0.68) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13229845 0.75 LMNA (0.46) MEN1KMT2AALDH1A1LMNA
SCHEMBL4216032 0.75 MAPT (0.51) KMT2ACHEK1MAPTLMNATSHR
SCHEMBL10889212 0.74 ALDH1A1 (0.46) ALDH1A1

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-7005439-B2 Compounds ASTRAZENECA AB (SE) 2006-02-28 US disclosed
US-20050239801-A1 Novel compounds ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1299356-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
US-20030153555-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-14 US disclosed
EP-1299356-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098272-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 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-20030153555-A1 Novel compounds RPS4Y1, RPS4X, UGT2B7 MEN1 272/4885KMT2A 2861/4885CHEK1 4506/4885
US-20050239801-A1 Novel compounds CHRM2, CHRM1, C1R MEN1 76/4885KMT2A 1836/4885CHEK1 4680/4885

“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.