Sugi Predict

Sugi Predict / Compounds / SCHEMBL12672002

SCHEMBL12672002

SCHEMBL12672002

COC(=O)CCCCCNC(=O)/C(C)=C/c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.48
▸ AKR1C3 P42330 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL1233592 0.90 LMNA (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1233593 0.90 LMNA (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3054459 0.86 LMNA (0.56) ALDH1A1LMNAPOLB
SCHEMBL3054457 0.86 LMNA (0.56) ALDH1A1LMNAPOLB
SCHEMBL1231407 0.85 LMNA (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1231408 0.85 LMNA (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL12672448 0.84 HDAC1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1HDAC3
SCHEMBL1232981 0.82 HDAC3 (0.66) ALDH1A1LMNAPOLBHDAC3HDAC4
SCHEMBL1232982 0.82 HDAC3 (0.66) ALDH1A1LMNAPOLBHDAC3HDAC4
SCHEMBL1232727 0.79 LMNA (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 — — US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 — — US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 — — US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 — — US disclosed
EP-1598067-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 — — 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 (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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 ALDH1A1 692/4885RAB9A 1543/4885SMN1; SMN2 4544/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 ALDH1A1 727/4885RAB9A 2374/4885SMN1; SMN2 4082/4885

“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.