SCHEMBL14320197

SCHEMBL14320197

CCn1c(=O)ccc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CCND2 P30279 3/20 0.45
CCND3 P30281 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MPO P05164 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PARK7 Q99497 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
SCHEMBL28779597 0.86 HDAC1 (0.43) CDK4CCND1CCND2CCND3HDAC1
SCHEMBL17637279 0.83 HDAC1 (0.45) BTKCDK4CCND1CCND2CCND3
SCHEMBL6333356 0.80 BTK (0.57) BTKCDK4CCND1CCND2CCND3
SCHEMBL3839835 0.79 HDAC1 (0.43) CDK4CCND1CCND2CCND3HDAC1
SCHEMBL30448661 0.79 HDAC1 (0.43) BTKHDAC1HDAC6HTR2CHTR2A
SCHEMBL20338313 0.79 MAPT (0.40) CDK4CCND1CCND2CCND3MAPT
SCHEMBL30355117 0.79 BTK (0.46) BTKCDK4CCND1CCND2CCND3
SCHEMBL3862000 0.78 HDAC1 (0.42) HDAC1HDAC6MAPTSMN1; SMN2HTR2C
Hydrochloric Acid SCHEMBL17581004 0.78 HDAC1 (0.42) HDAC1HDAC6HTR2CHTR2APLK1
SCHEMBL17580899 0.78 PTGDR2 (0.45) KDM4E

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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO 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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES MRPL21, MAPRE1, HDAC6 BTK 3039/4885CDK4 3531/4885CCND1 2153/4885

“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.