SCHEMBL13519656

SCHEMBL13519656

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ ARG1 P05089 1/20 0.34
▸ ARG2 P78540 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33

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
SCHEMBL13520211 0.81 HRH2 (0.40) KMT2ASLC29A1ALDH1A1KDM4ETSHR
SCHEMBL13519664 0.77 ALDH1A1 (0.33) KMT2ASLC29A1ALDH1A1KDM4EHPGD
SCHEMBL1960782 0.77 CYP19A1 (0.47) KMT2AALDH1A1KDM4ELMNA
SCHEMBL28362252 0.75 HRH3 (0.38) KMT2AALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL13519661 0.75 ARG1 (0.41) KMT2AALDH1A1ARG1ARG2TP53
SCHEMBL13519655 0.75 SIGMAR1 (0.42) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL13519659 0.75 SIGMAR1 (0.48) KMT2AALDH1A1ARG1ARG2KDM4E
SCHEMBL12994219 0.75 ALDH1A1 (0.56) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL12844635 0.75 CYP19A1 (0.41) ALDH1A1TP53SMN1; SMN2TSHRHRH2
SCHEMBL8693568 0.75 MEN1 (0.42) KMT2AALDH1A1KDM4ESMN1; SMN2SIGMAR1

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 KMT2A 1789/4885SLC29A1 3079/4885ALDH1A1 1422/4885

“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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