SCHEMBL14969718

SCHEMBL14969718

CC(Nc1c(-c2ccc(F)cc2)nc2cnccn12)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43

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
SCHEMBL10049206 0.94 CDK9 (0.46) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL14963858 0.90 ATM (0.42) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10048687 0.90 GAA (0.44) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL14963799 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10048762 0.84 GAA (0.52) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL14963727 0.84 GAA (0.52) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL14963728 0.83 HSD17B10 (0.46) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10048696 0.82 BRD4 (0.47) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10049203 0.81 GAA (0.49) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10048759 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDGAACASP1

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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 KDM4E 4027/4885ALDH1A1 1069/4885HPGD 2143/4885

“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.