SCHEMBL14425345

SCHEMBL14425345

CNc1cc(OC)c(C(C)=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL5208082 0.82 ALDH1A1 (0.49) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL13235630 0.79 CYP3A4 (0.46) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL12248741 0.77 CYP3A4 (0.60) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL2029772 0.77 CYP3A4 (0.78) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL4743848 0.77 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL141925 0.75 CYP2C9 (0.65) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL23327143 0.75 MAPK1 (0.53) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL23327352 0.75 CYP3A4 (0.53) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL5209995 0.75 CYP3A4 (0.53) CYP3A4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL23327273 0.75 CYP3A4 (0.53) CYP3A4SMN1; SMN2MAPK1USP2KMT2A

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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 — — US disclosed
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 — — 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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 CYP3A4 393/4885SMN1; SMN2 2931/4885MAPK1 1609/4885

“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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