SCHEMBL162976

SCHEMBL162976

CCCCOC(=O)c1cncc([O])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 6/20 0.47
ESR1 P03372 6/20 0.47
LMNA P02545 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2D6 P10635 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
PDE4D Q08499 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
SCHEMBL163670 0.90 ALDH1A1 (0.45) L3MBTL1TSHRESR1LMNACYP1A2
SCHEMBL164287 0.83 CYP1A2 (0.53) TSHRESR1LMNACYP1A2CYP2C19
SCHEMBL8405192 0.76 MAPT (0.64) L3MBTL1TSHRLMNACYP1A2SMN1; SMN2
SCHEMBL158283 0.76 ALDH1A1 (0.45) L3MBTL1TSHRLMNACYP1A2SMN1; SMN2
SCHEMBL162103 0.74 MRGPRX4 (0.43) L3MBTL1CYP1A2CYP2C19SMN1; SMN2MAPK1
SCHEMBL3885590 0.73 CYP1A2 (0.68) L3MBTL1TSHRESR1LMNACYP1A2
SCHEMBL8405202 0.73 L3MBTL1 (0.67) L3MBTL1TSHRESR1LMNACYP1A2
SCHEMBL31277364 0.72 ESR1 (0.56) L3MBTL1TSHRESR1LMNACYP1A2
SCHEMBL160101 0.72 GABRA1 (0.42) L3MBTL1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL162551 0.72 LMNA (0.49) L3MBTL1TSHRESR1LMNACYP1A2

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 L3MBTL1 1654/4885TSHR 4862/4885ESR1 4725/4885

“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.