SCHEMBL5415973

SCHEMBL5415973

O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
TSHR P16473 3/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.41
OPRM1 P35372 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR2B P41595 2/20 0.40
TMEM97 Q5BJF2 2/20 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
SCHEMBL30449122 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL2144069 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL17362924 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL5415989 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL2144064 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL5419125 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1CHRNB4CHRNA3TSHR
SCHEMBL14657564 0.97 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRKMT2ACHRM2
SCHEMBL15726193 0.90 TSHR (0.46) ALDH1A1L3MBTL1TSHRKMT2ACHRM2
SCHEMBL15726196 0.90 TSHR (0.46) ALDH1A1L3MBTL1TSHRKMT2ACHRM2
SCHEMBL28449657 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRKMT2ACHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ALDH1A1 3541/4885L3MBTL1 1142/4885CHRNB4 3227/4885

“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.