SCHEMBL4747449

SCHEMBL4747449

CC(=O)Nc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STAT3 P40763 1/20 0.44
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 3/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
KCNT1 Q5JUK3 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4221398 1.00 TSHR (0.54) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL1951762 0.90 TSHR (0.46) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL3222025 0.90 TSHR (0.46) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL4216723 0.87 CCR1 (0.45) TSHRKMT2AALDH1A1MEN1STAT3
SCHEMBL4634082 0.87 CCR1 (0.45) TSHRKMT2AALDH1A1MEN1STAT3
SCHEMBL6074890 0.86 MEN1 (0.44) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL7697711 0.85 TSHR (0.56) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL4805317 0.85 TSHR (0.56) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL4222171 0.81 TSHR (0.78) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL3814852 0.81 BRD4 (0.57) TSHRALDH1A1MAPTLMNASMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-1263725-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-20 EP disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X TSHR 982/4885KMT2A 3277/4885ALDH1A1 1012/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 TSHR 975/4885KMT2A 3481/4885ALDH1A1 924/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 TSHR 927/4885KMT2A 3037/4885ALDH1A1 1466/4885

“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.