SCHEMBL6328316

SCHEMBL6328316

O=C(CCc1nc(-c2ccc(OCC3CC3)cc2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 5/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL6328519 0.89 TP53 (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6326636 0.88 HPGD (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6331270 0.87 HPGD (0.47) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6327904 0.87 HPGD (0.59) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6328474 0.86 GAA (0.57) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6333224 0.86 HPGD (0.50) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6328284 0.86 HPGD (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6327284 0.86 GAA (0.55) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6332469 0.86 HPGD (0.49) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6330576 0.86 GAA (0.49) TSHRSMN1; SMN2HTTALDH1A1LMNA

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 TSHR 4656/4885SMN1; SMN2 3494/4885HTT 1266/4885

“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.