SCHEMBL5194370

SCHEMBL5194370

CCCCCCC(=O)Nc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.53
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
AURKA O14965 1/20 0.44
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL5196713 0.82 XDH (0.54) XDHHDAC1HDAC2NPC1GLA
SCHEMBL7052324 0.81 HDAC1 (0.61) XDHHDAC1HDAC2AURKANPC1
SCHEMBL5192969 0.81 HDAC1 (0.61) XDHHDAC1HDAC2AURKANPC1
SCHEMBL5694220 0.78 XDH (0.65) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL5352883 0.76 XDH (0.67) XDHNPC1SMN1; SMN2
SCHEMBL6899619 0.76 POLA1 (0.53) XDHHDAC1HDAC2
SCHEMBL5694094 0.73 XDH (0.51) XDHNPC1SMN1; SMN2TMIGD3HTR2C
SCHEMBL16146631 0.72 XDH (0.65) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL7110910 0.72 XDH (0.69) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL6996417 0.71 XDH (0.62) XDHNPC1GLAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207419-A1 SOLID FORM OF 2-CHLORO-2'-DEOXY-ADENOSINE COMPLEX WITH HPßCD BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2024-06-27 US disclosed
EP-1554298-A4 PROCESS FOR THE PREPARATION OF 9-BETA-ANOMERIC NUCLEOSIDE ANALOGS ASH STEVENS INC (US) 2007-09-26 EP disclosed
EP-1554298-A1 PROCESS FOR THE PREPARATION OF 9-BETA-ANOMERIC NUCLEOSIDE ANALOGS ASH STEVENS, INC. (US) 2005-07-20 EP disclosed
US-6884880-B2 Process for the preparation of 9-β-anomeric nucleoside analogs ASH STEVENS, INC. (US) 2005-04-26 US disclosed
WO-2004018490-A1 PROCESS FOR THE PREPARATION OF 9-BETA-ANOMERIC NUCLEOSIDE ANALOGS ASH STEVENS, INC. (US) 2004-03-04 WO disclosed
US-20040039190-A1 Process for the preparation of 9-beta-anomeric nucleoside analogs ASH STEVENS, INC. 2004-02-26 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-20240207419-A1 SOLID FORM OF 2-CHLORO-2'-DEOXY-ADENOSINE COMPLEX WITH HPßCD DCTD, AMPD2, ADA XDH 1267/4885HDAC1 1292/4885HDAC2 801/4885
US-20040039190-A1 Process for the preparation of 9-beta-anomeric nucleoside analogs DPYD, SLC29A2, GALE XDH 339/4885HDAC1 4493/4885HDAC2 4188/4885

“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.