SCHEMBL13435563

SCHEMBL13435563

CCS/C(=C\C(=O)c1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 2/20 0.46
PHGDH O43175 1/20 0.46
TSHR P16473 1/20 0.46
FKBP1A P62942 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3536342 1.00 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTALOX12
SCHEMBL3545278 0.87 PHGDH (0.52) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL2762764 0.77 BCHE (0.43) SMN1; SMN2FKBP1AGAAKMT2AALDH1A1
SCHEMBL11711031 0.75 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTALOX12
SCHEMBL3609711 0.71 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2MAPTHPGDTSHR
SCHEMBL28649066 0.69 RAB9A (0.59) RAB9ASMN1; SMN2NPC1HPGDPHGDH
SCHEMBL946143 0.68 HPGD (0.86) SMN1; SMN2HPGDPHGDHTSHRGAA
SCHEMBL8727982 0.68 MGLL (0.59) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL5931233 0.67 KMT2A (0.50) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL5931234 0.67 KMT2A (0.50) RAB9ASMN1; SMN2NPC1MAPTHPGD

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-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 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 (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-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 RAB9A 4426/4885SMN1; SMN2 4287/4885NPC1 2558/4885

“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.