SCHEMBL12857421

SCHEMBL12857421

CC(C)(C)c1ccc2n1CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
MITF O75030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.32
CYP2B6 P20813 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PREP P48147 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL10187689 0.71 HPGD (0.38) HPGDSMN1; SMN2POLBMAPK1LMNA
SCHEMBL22016195 0.70 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL29161623 0.68 ALDH1A1 (0.40) HPGDSMN1; SMN2POLBMAPK1LMNA
SCHEMBL21727169 0.68 HTR2C (0.41) HPGDMAPK1
SCHEMBL10183602 0.67 MAPK1 (0.50) HPGDSMN1; SMN2POLBMAPK1LMNA
SCHEMBL12857326 0.67 SSTR4 (0.49) HPGDSMN1; SMN2POLBMAPK1LMNA
SCHEMBL13057511 0.67 NPC1 (0.33) HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL14396591 0.67 HPGD (0.33) HPGDLMNAHTTAPOBEC3AAPOBEC3G
SCHEMBL29161593 0.65 ALDH1A1 (0.38) HPGDSMN1; SMN2POLBMAPK1GAA
SCHEMBL20434829 0.64 SSTR4 (0.50) HPGDSMN1; SMN2POLBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 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 (2 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-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HPGD 2825/4885MITF 2608/4885SMN1; SMN2 4655/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HPGD 2825/4885MITF 2608/4885SMN1; SMN2 4655/4885

“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.