SCHEMBL14669391

SCHEMBL14669391

COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ MEN1 O00255 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ SLCO2B1 O94956 1/20 0.62
▸ GLA P06280 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ BCL2L1 Q07817 1/20 0.62
▸ SLCO1B3 Q9NPD5 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ SLCO1B1 Q9Y6L6 1/20 0.62
▸ TOP1 P11387 3/20 0.59
▸ TOP2A P11388 3/20 0.59
▸ HPGD P15428 1/20 0.59

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
SCHEMBL18007159 0.89 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL14665620 0.89 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL29466902 0.88 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1059266 0.88 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL23945157 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL23945083 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1552158 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL20768152 0.87 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL19484925 0.87 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL38685 0.87 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229338-A1 BODIPY COMPOUND, AND TEMPERATURE-SENSITIVE FLUORESCENT SENSOR OF CELL ORGANELLES COMPRISING SAME 기초과학연구원 2023-11-30 — — WO disclosed
WO-2021160732-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-08-19 — — WO disclosed
EP-3865544-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-08-18 — — EP disclosed
US-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 — — US disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 — — 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-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE PCNA, CD2BP2, BPGM ALDH1A1 3831/4885KDM4E 4345/4885MAPT 3686/4885

“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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