SCHEMBL163568

SCHEMBL163568

CCCCOC(=O)c1cccnc1[O]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.66
TDP1 Q9NUW8 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
MAPK1 P28482 3/20 0.59
CYP3A4 P08684 3/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 5/20 0.58
LMNA P02545 4/20 0.58
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 2/20 0.54
KDM4A O75164 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
POLB P06746 1/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ESR1 P03372 1/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL163355 0.91 ALDH1A1 (0.64) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL8405883 0.85 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL162019 0.84 TSHR (0.61) TSHRL3MBTL1MAPK1TP53ALDH1A1
SCHEMBL2595579 0.84 ALDH1A1 (0.64) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL13296381 0.84 TSHR (0.64) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL30609724 0.84 L3MBTL1 (0.64) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2358945 0.81 TSHR (0.67) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL4596231 0.80 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL2330224 0.80 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4
Dibutyl Phthalate SCHEMBL24051 0.80 TSHR (1.00) TSHRTDP1L3MBTL1MAPK1CYP3A4

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885TDP1 56/4885L3MBTL1 1654/4885

“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.