SCHEMBL19941005

SCHEMBL19941005

NCCOc1cccc2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.50
▸ NCF1 P14598 7/20 0.47
▸ CYBB P04839 3/20 0.46
▸ NOX5 Q96PH1 1/20 0.46
▸ HTR1A P08908 3/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ ITK Q08881 1/20 0.43
▸ SLC6A4 P31645 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23412378 0.89 MAPT (0.52) HTR1BKDM4ENCF1CYBBNOX5
SCHEMBL19941479 0.88 HTR1B (0.56) HTR1BKDM4ENCF1HTR1ALOXL2
SCHEMBL23412188 0.87 NCF1 (0.51) HTR1BKDM4ENCF1CYBBNOX5
SCHEMBL23412437 0.86 NCF1 (0.58) HTR1BKDM4ENCF1CYBBNOX5
SCHEMBL23412668 0.84 NCF1 (0.59) KDM4ENCF1CYBBNOX5MAPT
SCHEMBL23412394 0.84 NCF1 (0.59) KDM4ENCF1CYBBNOX5MAPT
SCHEMBL23412286 0.84 NCF1 (0.59) KDM4ENCF1CYBBNOX5MAPT
SCHEMBL96151 0.83 HTR1A (0.45) HTR1BKDM4ENCF1CYBBNOX5
SCHEMBL5211140 0.83 HTR1A (0.45) HTR1BKDM4ENCF1CYBBNOX5
SCHEMBL9969535 0.83 HTR1B (0.48) HTR1BKDM4ENCF1CYBBNOX5

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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 HTR1B 2753/4885KDM4E 3457/4885NCF1 188/4885

“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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