SCHEMBL10054271

SCHEMBL10054271

Nc1c(S)ccc2ccc(S)c(N)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10054265 0.86 CDK2 (0.31)
SCHEMBL29670933 0.77 MEN1 (0.33)
SCHEMBL10054269 0.77 MEN1 (0.33)
Hydrochloric Acid SCHEMBL28750489 0.74 MEN1 (0.31)
Hydrochloric Acid SCHEMBL7049662 0.74 MEN1 (0.31)
SCHEMBL10369590 0.69 CYP3A4 (0.37) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL10348051 0.69
SCHEMBL29463764 0.69 CYP3A4 (0.37) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL690649 0.69 HSD17B10 (0.50) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL9521974 0.67 CD44 (0.32) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US 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-20120021897-A1 RING COMPOUND NR4A2, NR4A1, NR0B1 ALDH1A1 1475/4885CYP1A1 33/4885CYP1A2 37/4885

“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.