SCHEMBL3545278

SCHEMBL3545278

CCSC(=CC(=O)c1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
AKR1C3 P42330 3/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
MGLL Q99685 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FKBP1A P62942 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
F2 P00734 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 0.87 RAB9A (0.49) PHGDHSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL13435563 0.87 RAB9A (0.49) PHGDHSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL30272530 0.75 HDAC3 (0.51) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL13113958 0.71 BCHE (0.43) SMN1; SMN2ALDH1A1FKBP1ALMNAHTT
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL6937394 0.70 PHGDH (1.00) PHGDHSMN1; SMN2MAPTAKR1C3ALDH1A1
SCHEMBL3609711 0.69 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL28611988 0.68 PHGDH (0.71) PHGDHSMN1; SMN2MAPTAKR1C3ALDH1A1
SCHEMBL11180723 0.67 ALDH1A1 (0.56) PHGDHSMN1; SMN2MAPTAKR1C3ALDH1A1
SCHEMBL4739646 0.67 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL15443136 0.66 PHGDH (0.54) PHGDHSMN1; SMN2MAPTAKR1C3ALDH1A1

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-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
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 PHGDH 2214/4885SMN1; SMN2 4291/4885MAPT 3983/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PHGDH 2368/4885SMN1; SMN2 4287/4885MAPT 3852/4885

“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.