SCHEMBL5874236

SCHEMBL5874236

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)(c4ccncc4)C3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
KMT2A Q03164 2/20 0.42
DPP4 P27487 6/20 0.41
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL9686060 0.85 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148063 0.81 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5082609 0.77 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8775501 0.77 EPHA2 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5874330 0.76 DPP4 (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686851 0.76 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148314 0.76 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685896 0.75 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9044442 0.75 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686011 0.75 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 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-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS LMNA 3998/4885CYP2C9 197/4885ATP6V1B2 3225/4885

“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.