SCHEMBL4415908

SCHEMBL4415908

CCCC(C)NNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
HPGD P15428 3/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.50
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 5/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 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
SCHEMBL8174154 0.86 RAB9A (0.61) RAB9ANPC1HPGDGAAALDH1A1
SCHEMBL1003282 0.83 RAB9A (0.82) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL27658068 0.81 HPGD (0.51) RAB9ANPC1HPGDGAAALDH1A1
SCHEMBL19946412 0.80 PRSS1 (0.57) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5394237 0.78 PTGS2 (0.67) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL28058194 0.77 RAB9A (0.43) RAB9ANPC1HPGDGAAALDH1A1
Benzoic Acid SCHEMBL3409640 0.76 RAB9A (0.54) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL8761160 0.75 NPC1 (0.50) RAB9ANPC1HPGDGAASMN1; SMN2
SCHEMBL8177990 0.75 NPC1 (0.50) RAB9ANPC1HPGDGAASMN1; SMN2
SCHEMBL3869394 0.75 NPC1 (0.50) RAB9ANPC1HPGDGAASMN1; 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 RAB9A 2184/4885NPC1 3094/4885HPGD 2275/4885

“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.