SCHEMBL13519664

SCHEMBL13519664

CC(C)CCN1CCN(CCOC(=O)CNS(=O)(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ FPR3 P25089 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL13520194 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2ASLC29A1HRH2
SCHEMBL13519662 0.79 ALDH1A1 (0.36) ALDH1A1TP53SMN1; SMN2KMT2ALMNA
SCHEMBL13519656 0.77 KMT2A (0.36) ALDH1A1HRH3TP53SMN1; SMN2KMT2A
SCHEMBL13519655 0.76 SIGMAR1 (0.42) ALDH1A1KMT2AKDM4ELMNATSHR
SCHEMBL13519666 0.69 LTA4H (0.34) —
SCHEMBL12844635 0.68 CYP19A1 (0.41) ALDH1A1TP53SMN1; SMN2TSHRADRA1A
SCHEMBL3248494 0.68 L3MBTL1 (0.36) ALDH1A1TP53SMN1; SMN2KMT2AFPR3
SCHEMBL19632530 0.66 TDP1 (0.35) ALDH1A1HRH3TP53SMN1; SMN2KMT2A
SCHEMBL12000726 0.66 — —
SCHEMBL20438382 0.66 ALOX15 (0.38) TP53SMN1; SMN2

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-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 — — US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 — — 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 ALDH1A1 1422/4885HRH3 1811/4885KCNH2 2131/4885

“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.

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