SCHEMBL2160637

SCHEMBL2160637

Cc1ccnc(C(=O)N(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSA P10619 2/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL4947098 0.85 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL12677912 0.80 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL7083266 0.79 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL20812680 0.79 CNR2 (0.59) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL111587 0.78 KDM4E (0.61) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL29971476 0.78 ALDH1A1 (0.52) ALDH1A1MAPTUHRF1CCR1CCR5
SCHEMBL397492 0.78 ALDH1A1 (0.52) ALDH1A1MAPTUHRF1CCR1CCR5
SCHEMBL29758442 0.78 KDM4E (0.61) ALDH1A1MAPTL3MBTL1UHRF1CCR1
Bicarbonate SCHEMBL2118238 0.78 CNR2 (0.42) ALDH1A1MAPTL3MBTL1UHRF1CCR1
SCHEMBL18569709 0.78 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1UHRF1CCR1

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-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD ALDH1A1 526/4885MAPT 2535/4885L3MBTL1 3099/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD ALDH1A1 526/4885MAPT 2535/4885L3MBTL1 3099/4885

“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.