SCHEMBL1244892

SCHEMBL1244892

N#CCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.49
TDP1 Q9NUW8 3/20 0.45
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
CTSB P07858 2/20 0.41
HTT P42858 1/20 0.41
PTGER1 P34995 1/20 0.41
KMT2A Q03164 3/20 0.41
KLKB1 P03952 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 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
SCHEMBL22615011 0.85 LMNA (0.46) ALDH1A1NPC1MAPTLMNAHTT
SCHEMBL22627509 0.85 KMT2A (0.43) ALDH1A1TP53MRGPRX4NPC1MAPT
SCHEMBL12483495 0.81 ALDH1A1 (0.49) ALDH1A1TP53NPC1MAPTKDM4E
SCHEMBL22615071 0.81 SMN1; SMN2 (0.47) ALDH1A1NPC1MAPTLMNAHTT
SCHEMBL22615004 0.81 ALDH1A1 (0.54) ALDH1A1NPC1MAPTKDM4ELMNA
SCHEMBL11456033 0.79 HMGB1 (0.42) ALDH1A1CTSBKMT2AKLKB1MMP9
SCHEMBL27972779 0.79 ALDH1A1 (0.66) ALDH1A1TDP1POLBMAPTKDM4E
SCHEMBL13622158 0.78 ALDH1A1 (0.59) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL11567658 0.78 ALDH1A1 (0.46) ALDH1A1TP53MRGPRX4TDP1POLB
SCHEMBL5113001 0.77 FOLH1 (0.57) ALDH1A1TP53MRGPRX4TDP1POLB

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
EP-3962915-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2022-03-09 EP disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 WO disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 WO disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ALDH1A1 102/4885TP53 3546/4885MRGPRX4 2075/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ALDH1A1 264/4885TP53 4877/4885MRGPRX4 485/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 ALDH1A1 435/4885TP53 1499/4885MRGPRX4 866/4885

“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.