SCHEMBL6104644

SCHEMBL6104644

CCCc1nn(C)c2c(Nc3ccc(OC)c(Cl)c3)nc(-c3ccccc3OCC)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PDE6C P51160 1/20 0.42
BCL6 P41182 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC2 Q92769 3/20 0.41
PIP4K2A P48426 1/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 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
Hydrochloric Acid SCHEMBL5326033 0.99 PDE5A (0.48) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6103594 0.91 PDE5A (0.49) PDE5AKMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5361577 0.90 PDE5A (0.49) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL5324992 0.87 TUBB4A (0.48) PDE5AKMT2AALDH1A1MAPTBCL6
SCHEMBL5330304 0.87 KMT2A (0.56) PDE5AKMT2APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL5369434 0.86 TUBB4A (0.47) PDE5AKMT2AALDH1A1MAPTBCL6
Hydrochloric Acid SCHEMBL5355292 0.86 KMT2A (0.56) PDE5AKMT2APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL5324056 0.85 BCL6 (0.44) PDE5AKMT2AMEN1HDAC1HDAC6
SCHEMBL6101530 0.84 ABCG2 (0.43) PDE5AKMT2AMEN1HDAC1HDAC6
Hydrochloric Acid SCHEMBL6103364 0.84 ABCG2 (0.42) PDE5AKMT2AMEN1HDAC1HDAC6

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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG PDE5A 3544/4885KMT2A 4076/4885MEN1 2470/4885

“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.