SCHEMBL163670

SCHEMBL163670

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ESR1 P03372 2/20 0.45
TSHR P16473 2/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 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
SCHEMBL162976 0.90 L3MBTL1 (0.49) ALDH1A1ESR1TSHRTDP1LMNA
SCHEMBL164287 0.86 CYP1A2 (0.53) ALDH1A1ESR1TSHRLMNAMAPT
SCHEMBL158283 0.79 ALDH1A1 (0.45) ALDH1A1TSHRTDP1LMNAMAPT
SCHEMBL162103 0.77 MRGPRX4 (0.43) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8408307 0.75 MAPT (0.63) ALDH1A1TSHRTDP1MAPTRAB9A
SCHEMBL160101 0.74 GABRA1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2GABRA1
SCHEMBL10356523 0.73 ALDH1A1 (0.54) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL165921 0.72 CA12 (0.42) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL159442 0.72 HPGDS (0.38) ALDH1A1MAPTGABRPGABRDGABRA1
SCHEMBL8405218 0.72 CYP1A2 (0.72) ALDH1A1ESR1TSHRCHRM1SLC6A2

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 ALDH1A1 1667/4885ESR1 4725/4885TSHR 4862/4885

“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.