SCHEMBL5359600

SCHEMBL5359600

CCCc1nn(C)c2c(Nc3ccc(O)c(Cl)c3)nc(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
RXRA P19793 1/20 0.40
NR4A2 P43354 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ABCB1 P08183 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35

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 SCHEMBL5359430 0.99 PDE5A (0.42) PDE5APDE4BPDE4DRXRANR4A2
Hydrochloric Acid SCHEMBL5328910 0.91 PDE5A (0.38) PDE5AABCG2NPC1RAB9AMAPT
SCHEMBL5324992 0.87 TUBB4A (0.48) PDE5AABCG2MAPTABCB1TP53
Hydrochloric Acid SCHEMBL5369434 0.86 TUBB4A (0.47) PDE5AABCG2MAPTABCB1TP53
Hydrochloric Acid SCHEMBL5368890 0.84 ABCG2 (0.44) PDE5AABCG2ABCB1
Hydrochloric Acid SCHEMBL5357538 0.81 PDE5A (0.39) PDE5APDE4BPDE4DABCG2MAPT
Hydrochloric Acid SCHEMBL5363389 0.79 ABCG2 (0.56) PDE5AABCG2MAPTLMNAABCB1
SCHEMBL6101530 0.79 ABCG2 (0.43) PDE5AABCG2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL5324056 0.78 BCL6 (0.44) PDE5AABCG2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6103364 0.78 ABCG2 (0.42) PDE5AABCG2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
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 3544/4885PDE4B 3389/4885PDE4D 3307/4885

“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.