SCHEMBL6361354

SCHEMBL6361354

CCN1CCN(c2ccc3nc(-c4ccc(O)cc4)[nH]c3c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.73
▸ TOP2A P11388 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ HPGD P15428 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ ACHE P22303 1/20 0.67
▸ MEN1 O00255 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SLCO2B1 O94956 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BCL2L1 Q07817 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SLCO1B1 Q9Y6L6 1/20 0.58
▸ TERT O14746 5/20 0.54
▸ FGFR1 P11362 2/20 0.54

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
SCHEMBL14665658 0.85 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29376223 0.85 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL74554 0.85 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29443416 0.84 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29421432 0.84 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL30597851 0.84 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL13856958 0.82 ALDH1A1 (0.89) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL19137934 0.80 ACHE (0.69) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL18089342 0.80 ALDH1A1 (0.89) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9560143 0.77 ALDH1A1 (0.63) TOP1TOP2AALDH1A1SMN1; SMN2HPGD

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-20050222133-A1 PROCESS FOR PREPARING PYRROLO[2, 1-C] [1,4] BENZODIAZEPINE HYBRIDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2005-10-06 — — US claimed
US-6951853-B1 Process for preparing pyrrolo[2, 1-c] [1,4] benzodiazepine hybrids COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-04 — — US claimed

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-20050222133-A1 PROCESS FOR PREPARING PYRROLO[2, 1-C] [1,4] BENZODIAZEPINE HYBRIDS PBRM1, GABRP, GABRA4 TOP1 37/4885TOP2A 142/4885ALDH1A1 1305/4885

“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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