SCHEMBL12433409

SCHEMBL12433409

NCCc1cc(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ERAP1 Q9NZ08 1/20 0.54
SLC18A1 P54219 1/20 0.50
SLC18A2 Q05940 1/20 0.50
AKR1B1 P15121 1/20 0.49
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.44
HSD17B3 P37058 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL29369266 0.90 MEN1 (0.50) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL15082515 0.85 MCL1 (0.61) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL12433440 0.84 MCL1 (0.54) MCL1MEN1KMT2AERAP1SLC18A1
SCHEMBL7459151 0.83 MCL1 (0.79) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL15082520 0.82 MCL1 (0.57) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL15084993 0.82 MEN1 (0.58) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL15084988 0.79 SLC18A1 (0.50) MCL1MEN1KMT2AERAP1SLC18A1
SCHEMBL3091159 0.78 HSD17B3 (0.63) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL14473552 0.78 TDP1 (0.56) MCL1TDP1MEN1KMT2AERAP1
SCHEMBL12433414 0.76 HSD17B3 (0.73) MCL1KMT2AERAP1SLC18A1SLC18A2

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-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL UNIVERSITÉ PARIS CITÉ (FR) 2019-06-13 US disclosed
WO-2017216368-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-12-21 WO disclosed
US-9075014-B2 pH-responsive fluorescent false neurotransmitters and their use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-07-07 US disclosed
US-20130171664-A1 PH-RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-07-04 US disclosed
WO-2011094560-A1 PH RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-08-04 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-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL IFNAR1, CXCR4, CXCR3 MCL1 728/4885TDP1 3695/4885MEN1 4026/4885

“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.