SCHEMBL161795

SCHEMBL161795

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NAAA Q02083 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL162779 0.90 POLB (0.53) SMN1; SMN2HPGDALDH1A1POLBLMNA
SCHEMBL3092684 0.72 ALDH1A1 (0.81) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL11277299 0.71 KDM4E (0.48) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL14811748 0.71 TSHR (0.71) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL2914113 0.71 SMN1; SMN2 (0.79) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL17447460 0.71 POLB (0.82) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL163520 0.70 HTT (0.46) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL162862 0.70 HTT (0.46) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL160190 0.69 KDM4E (0.47) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL20991401 0.68 SMN1; SMN2 (0.73) SMN1; SMN2TSHRHTTHPGDALDH1A1

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 SMN1; SMN2 1/4885TSHR 4862/4885HTT 72/4885

“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.