SCHEMBL18299809

SCHEMBL18299809

CCOC(OCC)c1c(Cl)cnc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
UBE2N P61088 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33

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
SCHEMBL18299541 0.87 ALDH1A1 (0.48) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL18299229 0.79
SCHEMBL21866060 0.78 NPC1 (0.31) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL28984987 0.71 MEN1 (0.44) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL31071678 0.71 MEN1 (0.44) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL18298941 0.71 AOC3 (0.31)
SCHEMBL632805 0.70 KMT2A (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL28816925 0.69 KMT2A (0.46) TDP1MEN1KMT2AALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL28007668 0.69 KMT2A (0.46) TDP1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL20139676 0.68 MEN1 (0.46) TDP1MEN1KMT2AALDH1A1MAPK1

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-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 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 (5 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TDP1 4378/4885MEN1 3616/4885KMT2A 2318/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 TDP1 4378/4885MEN1 3616/4885KMT2A 2318/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TDP1 4378/4885MEN1 3616/4885KMT2A 2318/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TDP1 4378/4885MEN1 3616/4885KMT2A 2318/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TDP1 4378/4885MEN1 3616/4885KMT2A 2318/4885

“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.