SCHEMBL30894541

SCHEMBL30894541

CC(Nc1ccccc1N)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.62
▸ KDM4C Q9H3R0 1/20 0.47
▸ HDAC3 O15379 6/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ CFTR P13569 2/20 0.43
▸ GOPC Q9HD26 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOR2 Q9Y618 3/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 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
SCHEMBL16041507 0.81 KDM4E (0.51) KDM4EKDM4CLRRK2NR1I2SCN1A
SCHEMBL15722447 0.81 HDAC3 (0.54) KDM4EKDM4CHDAC3HDAC1HDAC2
SCHEMBL8353923 0.81 HDAC3 (0.54) KDM4EKDM4CHDAC3HDAC1HDAC2
SCHEMBL15722551 0.81 HDAC3 (0.54) KDM4EKDM4CHDAC3HDAC1HDAC2
SCHEMBL28470886 0.81 KDM4E (0.62) KDM4EKDM4CCFTRGOPCSLC6A2
Hydrochloric Acid SCHEMBL11568531 0.80 KDM4E (0.50) KDM4EKDM4CHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL11228436 0.80 KDM4E (0.50) KDM4EKDM4CHDAC3HDAC1HDAC2
SCHEMBL15137193 0.79 KDM4E (0.59) KDM4EKDM4CSMN1; SMN2GAA
SCHEMBL31285576 0.77 KDM4E (1.00) KDM4EKDM4CCFTRGOPCSLC6A2
SCHEMBL8877012 0.77 KDM4E (1.00) KDM4EKDM4CCFTRGOPCSLC6A2

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-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 — — 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-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 KDM4E 851/4885KDM4C 777/4885HDAC3 345/4885

“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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