SCHEMBL4875930

SCHEMBL4875930

Cc1nc2ccc(C(=O)NCC(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.64
RAB9A P51151 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSP90AA1 P07900 1/20 0.59
ESR2 Q92731 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
HDAC6 Q9UBN7 4/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL6784034 0.79 HSP90AA1 (0.64) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12909208 0.79 ALDH1A1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6170531 0.78 RAB9A (0.64) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17468533 0.78 TDP1 (0.58) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12430882 0.77 HSP90AA1 (0.69) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1160072 0.76 POLB (0.61) POLBRAB9AALDH1A1HPGDSMN1; SMN2
Carbamic Acid SCHEMBL29258949 0.76 ALDH1A1 (0.92) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29924530 0.75 TDP1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1758956 0.75 TDP1 (1.00) POLBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12647219 0.74 HSP90AA1 (0.69) POLBRAB9AALDH1A1HPGDSMN1; 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK POLB 1066/4885RAB9A 3960/4885ALDH1A1 404/4885

“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.