SCHEMBL162779

SCHEMBL162779

CCCNC(=O)c1cc([O])co1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL161795 0.90 SMN1; SMN2 (0.49) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL163823 0.86 MAPK1 (0.37) POLBALDH1A1L3MBTL1TP53HPGD
SCHEMBL161806 0.78 HTT (0.49) ALDH1A1KDM4EMAOBCYP1A2CYP2C9
SCHEMBL163909 0.76 KDM4E (0.36) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL162865 0.73 CYP1A2 (0.44) ALDH1A1MAOBCYP1A2CYP2C9TDP1
SCHEMBL162633 0.71 NPC1 (0.38) POLBALDH1A1KDM4EMAOBCYP1A2
SCHEMBL6361865 0.70 ALDH1A1 (0.74) ALDH1A1L3MBTL1HPGDNPC1RAB9A
SCHEMBL5199877 0.69 POLB (0.53) POLBALDH1A1KDM4EMAOBCYP1A2
SCHEMBL6437787 0.69 L3MBTL1 (0.61) POLBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL162015 0.68 MAPT (0.43) POLBALDH1A1KDM4ECYP1A2L3MBTL1

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 POLB 690/4885ALDH1A1 1667/4885KDM4E 2214/4885

“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.