SCHEMBL6503377

SCHEMBL6503377

Cc1nc(-c2c(F)cccc2F)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PARP1 P09874 1/20 0.38
LMNA P02545 2/20 0.36
ILK Q13418 1/20 0.36
RORC P51449 1/20 0.36
TTR P02766 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
AOC3 Q16853 2/20 0.35
MAP4K1 Q92918 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL6507632 0.88 SMN1; SMN2 (0.51) SMN1; SMN2BRD4LMNAMAPK1RAB9A
SCHEMBL17069079 0.80 BRD4 (0.49) SMN1; SMN2BRD4HDAC3HDAC6NCOR2
SCHEMBL6506932 0.77 JAK2 (0.46) SMN1; SMN2BRD4HDAC3HDAC6NCOR2
SCHEMBL17069072 0.75 BRD4 (0.48) SMN1; SMN2BRD4LMNAKDM4EMAPK1
SCHEMBL2488400 0.73 MAPT (0.40) HDAC3HDAC6NCOR2LMNAKDM4E
SCHEMBL25587161 0.71 HRH4 (0.41) SMN1; SMN2PARP1LMNATTRHRH4
SCHEMBL3462652 0.71 HDAC3 (0.44) SMN1; SMN2BRD4HDAC3HDAC6NCOR2
SCHEMBL1040640 0.71 HDAC3 (0.56) SMN1; SMN2BRD4HDAC3HDAC6NCOR2
SCHEMBL22052743 0.70 BRD4 (0.50) SMN1; SMN2BRD4HDAC3HDAC6NCOR2
SCHEMBL26107873 0.70 HDAC3 (0.65) BRD4HDAC3HDAC6NCOR2LMNA

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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2005-01-13 US disclosed
EP-1386915-A1 AZOLE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-02-04 EP 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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof C1S, CYP4B1, CYP4X1 SMN1; SMN2 4061/4885BRD4 3018/4885HDAC3 1011/4885

“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.