SCHEMBL5571992

SCHEMBL5571992

N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 4/20 0.71
LMNA P02545 3/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
CYP1A2 P05177 1/20 0.71
TOP2A P11388 1/20 0.71
CYP2C9 P11712 1/20 0.71
TOP2B Q02880 1/20 0.71
MAPT P10636 1/20 0.67
POLB P06746 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
OPRM1 P35372 1/20 0.65
OPRD1 P41143 1/20 0.65
TOP1 P11387 1/20 0.63
PIK3CG P48736 7/20 0.58
PIK3CD O00329 5/20 0.58
PIK3R1 P27986 5/20 0.58
PIK3CA P42336 5/20 0.58

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
SCHEMBL5571931 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5571927 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL8566915 0.99 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL28011756 0.93 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL12012677 0.93 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9665892 0.93 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL13483613 0.90 TOP1 (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9735289 0.88 KDM4E (0.72) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9734255 0.88 KDM4E (0.72) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9736411 0.88 KDM4E (0.72) ALDH1A1KDM4ELMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730154-B1 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE IP VENTURES L P (US) 2012-10-17 EP disclosed
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 US disclosed
EP-1730154-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-12-13 EP disclosed
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-11-24 US disclosed
WO-2005070940-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO 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-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes RIF1, MRPL37, AURKAIP1 ALDH1A1 1731/4885KDM4E 2995/4885LMNA 2569/4885

“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.