SCHEMBL6325453

SCHEMBL6325453

Cc1ccc(-c2noc(CCCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 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
SCHEMBL6324738 0.96 HPGD (0.47) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6325780 0.89 HPGD (0.47) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6325850 0.89 HDAC1 (0.51) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6328500 0.89 GAA (0.54) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6332642 0.87 GAA (0.54) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6332518 0.87 HDAC1 (0.51) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6332801 0.87 HPGD (0.53) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6326087 0.87 TSHR (0.51) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6328068 0.86 HDAC1 (0.51) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL6328158 0.85 HPGD (0.53) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4

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-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 — — 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 TSHR 696/4885SMN1; SMN2 826/4885HPGD 2405/4885

“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.

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