SCHEMBL4130260

SCHEMBL4130260

COCc1nnc(NC2CCN(Cc3ccc(C#CCO)cc3)CC2)c2cc(OC)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 3/20 0.45
MCHR1 Q99705 5/20 0.43
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
EHMT2 Q96KQ7 5/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
EHMT1 Q9H9B1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
DNMT1 P26358 1/20 0.39
NSD2 O96028 4/20 0.39

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
SCHEMBL13850602 0.89 DNMT3A (0.49) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL4129696 0.89 DNMT3A (0.44) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL4724035 0.87 DNMT3A (0.47) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL4722646 0.87 DNMT3A (0.46) DNMT3AMCHR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4122777 0.87 DNMT3A (0.46) DNMT3AMCHR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4122709 0.86 DNMT3A (0.46) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL4116963 0.85 DNMT3A (0.60) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL4764473 0.85 DNMT3A (0.46) DNMT3AMCHR1HDAC3HDAC1HDAC2
SCHEMBL13850599 0.85 DNMT3A (0.47) DNMT3AMCHR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4122544 0.84 DNMT3A (0.46) DNMT3AMCHR1HDAC3HDAC1HDAC2

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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR DNMT3A 3277/4885MCHR1 138/4885HDAC3 518/4885

“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.