SCHEMBL5571237

SCHEMBL5571237

COc1c(N2CCC(N)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.76
KDM4E B2RXH2 9/20 0.71
ALDH1A1 P00352 5/20 0.71
HPGD P15428 4/20 0.71
POLB P06746 3/20 0.71
OPRM1 P35372 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
PRKD3 O94806 1/20 0.71
ALOX15 P16050 1/20 0.71
CLK2 P49760 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
OPRD1 P41143 1/20 0.66
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
Hydrochloric Acid SCHEMBL9774028 0.98 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5570141 0.94 KCNH2 (0.79) KCNH2KDM4EALDH1A1HPGDPOLB
Water SCHEMBL9773975 0.94 KCNH2 (0.78) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9773711 0.92 KCNH2 (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5567734 0.91 KCNH2 (0.74) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8501918 0.91 KDM4E (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
Water SCHEMBL9773903 0.90 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8526816 0.90 KDM4E (0.74) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL1155028 0.89 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL11975675 0.89 KDM4E (0.81) KCNH2KDM4EALDH1A1HPGDPOLB

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-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE INC. (US) 2005-11-17 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-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CHCHD6, NAT10, RPS25 KCNH2 2210/4885KDM4E 952/4885ALDH1A1 2070/4885

“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.