SCHEMBL12055875

SCHEMBL12055875

CCc1cccc(C(=O)NCCCN(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.59
▸ TMEM97 Q5BJF2 6/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ PARP1 P09874 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ SMYD3 Q9H7B4 1/20 0.49
▸ NAMPT P43490 1/20 0.48

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
SCHEMBL13060801 0.92 FYN (0.55) SIGMAR1TMEM97SMN1; SMN2PARP1HPGD
SCHEMBL12333454 0.92 USP2 (0.55) SIGMAR1TMEM97SMN1; SMN2PARP1ALDH1A1
SCHEMBL13060857 0.89 FYN (0.52) SIGMAR1TMEM97SMN1; SMN2PARP1HPGD
SCHEMBL9490800 0.87 HDAC3 (0.66) SIGMAR1TMEM97SMN1; SMN2HDAC3SMYD3
SCHEMBL13060861 0.86 BCL2 (0.56) SIGMAR1TMEM97SMN1; SMN2HPGDKDM4E
SCHEMBL12228078 0.84 SMN1; SMN2 (0.57) SIGMAR1TMEM97SMN1; SMN2HPGDALDH1A1
SCHEMBL13060639 0.84 FYN (0.55) SIGMAR1TMEM97SMN1; SMN2PARP1ALDH1A1
SCHEMBL842218 0.83 NPC1 (0.59) SIGMAR1TMEM97SMN1; SMN2HPGDKDM4E
SCHEMBL18773534 0.83 SMN1; SMN2 (0.60) SIGMAR1TMEM97SMN1; SMN2HPGDKDM4E
SCHEMBL14947438 0.82 HPGD (0.67) SIGMAR1TMEM97SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 — — US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — 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 (3 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SIGMAR1 776/4885TMEM97 3828/4885SMN1; SMN2 2296/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SIGMAR1 776/4885TMEM97 3828/4885SMN1; SMN2 2296/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SIGMAR1 776/4885TMEM97 3828/4885SMN1; SMN2 2296/4885

“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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