SCHEMBL5330304

SCHEMBL5330304

CCCc1nn(C)c2c(Nc3ccc(OC)c(Cl)c3)nc(-c3cc(S(N)(=O)=O)ccc3OCC)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.48
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PDE5A O76074 13/20 0.46
ABCC5 O15440 2/20 0.46
PDE2A O00408 2/20 0.46
PDE9A O76083 2/20 0.46
PDE4A P27815 2/20 0.46
PDE6C P51160 2/20 0.46
PDE1A P54750 2/20 0.46
PDE11A Q9HCR9 2/20 0.46
PDE10A Q9Y233 2/20 0.46
ABCC4 O15439 1/20 0.46
PDE6D O43924 1/20 0.46
PDE8A O60658 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP3A4 P08684 1/20 0.46

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 SCHEMBL5355292 0.99 KMT2A (0.56) KMT2AKDM4ECA12CA9CA1
Hydrochloric Acid SCHEMBL5365443 0.90 KMT2A (0.56) KMT2AKDM4ECA12CA9CA1
SCHEMBL6104644 0.87 PDE5A (0.49) KMT2AKDM4EPDE5APDE6CPDE1A
Hydrochloric Acid SCHEMBL5326033 0.86 PDE5A (0.48) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL6101530 0.80 ABCG2 (0.43) KMT2APDE5AHDAC1HDAC6
SCHEMBL5324992 0.79 TUBB4A (0.48) KMT2APDE5A
Hydrochloric Acid SCHEMBL6103364 0.79 ABCG2 (0.42) KMT2APDE5AHDAC1HDAC6
Hydrochloric Acid SCHEMBL5369434 0.78 TUBB4A (0.47) KMT2APDE5A
SCHEMBL6103594 0.78 PDE5A (0.49) KMT2AKDM4EPDE5APDE6CPDE1A
Hydrochloric Acid SCHEMBL5324056 0.78 BCL6 (0.44) KMT2APDE5AHDAC1HDAC6

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 KMT2A 4076/4885KDM4E 2836/4885CA12 917/4885

“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.