SCHEMBL6101896

SCHEMBL6101896

O=C1c2c(c(O)c3c(ncn3Cc3ccccc3)c2O)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
PDE5A O76074 3/20 0.46
CMA1 P23946 1/20 0.46
SCN9A Q15858 2/20 0.43
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
PRKCE Q02156 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 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
SCHEMBL6102401 0.87 TSHR (0.47) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5793864 0.83 PDE5A (0.49) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4158476 0.81 KDM4E (0.46) SMN1; SMN2ALDH1A1HPGD
SCHEMBL6099895 0.81 MEN1 (0.45) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5768586 0.80 HPGD (0.58) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6099645 0.77 HPGD (0.60) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5794622 0.77 TSHR (0.54) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6099226 0.76 CMA1 (0.58) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6101296 0.75 PKM (0.47) TSHRPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6101379 0.75 TSHR (0.51) TSHRPKMKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 TSHR 3033/4885PKM 2808/4885KMT2A 1121/4885

“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.