SCHEMBL20942425

SCHEMBL20942425

CC(C)Cc1ccc2cnn(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
KMO O15229 2/20 0.42
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PTGER3 P43115 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 4/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 1/20 0.36
ABL1 P00519 1/20 0.36
CACNA1H O95180 1/20 0.34

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
SCHEMBL23425546 0.87 HDAC8 (0.43) HDAC8GABRA1GABRB2PDE1APDE1B
SCHEMBL12327554 0.85 HDAC8 (0.53) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL15687398 0.84 KMO (0.45) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL30174486 0.84 KMO (0.45) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL8253677 0.83 MPO (0.44) HDAC8GABRA1GABRB2PDE1CHTR2A
SCHEMBL19966783 0.81 KMO (0.40) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL6739776 0.79 KMO (0.53) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL6743454 0.79 HRH3 (0.39) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL6740845 0.77 HRH3 (0.40) HDAC8KMOPTGER3PDE1APDE1B
SCHEMBL19699718 0.76 KMO (0.45) HDAC8KMOPTGER3HTR2AHTR2C

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-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-02-25 US disclosed
US-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-04-25 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 (2 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-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HDAC8 1204/4885KMO 214/4885GABRA1 4419/4885
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX HDAC8 1204/4885KMO 214/4885GABRA1 4419/4885

“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.