SCHEMBL799425

SCHEMBL799425

CCC(C)CNC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 3/20 0.55
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NAAA Q02083 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GPR139 Q6DWJ6 1/20 0.50
EPHX2 P34913 1/20 0.49
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19349021 1.00 NAMPT (0.58) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL1707501 0.94 RAB9A (0.63) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL17865782 0.91 NAMPT (0.58) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL23911908 0.86 RAB9A (0.54) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL10912509 0.86 NPC1 (0.57) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL17426746 0.85 RAB9A (0.50) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL26699525 0.84 NAMPT (0.53) NAMPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL7121699 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL25970067 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL255251 0.83 GAA (0.76) RAB9ANPC1SMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8672466-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-03-18 US disclosed
US-20130243720-A1 Iron(II)-Containing A Treatments for Hyperphosphatemia HUVAL CHAD (US) 2013-09-19 US disclosed
US-20120069084-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed
US-20100135950-A1 Iron(II)-Containing Treatments for Hyperphosphatemia GENZYME CORPORATION (US) 2010-06-03 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-20100135950-A1 Iron(II)-Containing Treatments for Hyperphosphatemia FECH, SLC20A2, SDHB NAMPT 866/4885RAB9A 4150/4885NPC1 1553/4885
US-20130243720-A1 Iron(II)-Containing A Treatments for Hyperphosphatemia SLC20A2, PFKFB2, SLC46A1 NAMPT 811/4885RAB9A 3831/4885NPC1 1713/4885

“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.