SCHEMBL6733181

SCHEMBL6733181

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c(O)c2cc(N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2C9 P11712 3/20 0.54
NR1I2 O75469 1/20 0.51
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32
PLK1 P53350 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
Bromide SCHEMBL6686682 0.95 MAPK1 (0.52) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6231418 0.94 CYP2C9 (0.62) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6231207 0.93 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6236792 0.93 MAPK1 (0.66) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6235865 0.93 CYP2C9 (0.53) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6732912 0.89 MAPK1 (0.57) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6233730 0.88 CYP2C9 (0.53) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522562 0.85 MAPK1 (0.51) MAPK1HSD17B10CYP2C9NR1I2ALDH1A1
SCHEMBL6233801 0.85 MAPK1 (0.53) MAPK1HSD17B10CYP2C9NR1I2CHEK1
SCHEMBL6732332 0.85 CYP2C9 (0.61) MAPK1HSD17B10CYP2C9NR1I2CHEK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 CN claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 MAPK1 3699/4885HSD17B10 1428/4885CYP2C9 1218/4885

“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.