SCHEMBL163552

SCHEMBL163552

[O]c1cc(C(=O)O)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTPN1 P18031 1/20 0.50
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
MAPT P10636 2/20 0.46
MGAM O43451 1/20 0.46
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL162926 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL158321 0.82 KDM4E (0.46) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7308184 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL162740 0.82 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7554285 0.82 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL30363668 0.82 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL29406969 0.80 PTPN1 (0.65) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL163553 0.80 PRMT1 (0.56) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL70654 0.80 PTPN1 (0.65) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL27782213 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDHSD17B10

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 MEN1 4776/4885KMT2A 2544/4885ALDH1A1 1667/4885

“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.