SCHEMBL2160469

SCHEMBL2160469

CONC(=O)c1ncc(C(O)c2ccc(F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
MAPK1 P28482 5/20 0.32
MAOA P21397 1/20 0.31
CNR2 P34972 2/20 0.31
TGFBR1 P36897 1/20 0.30
TGFBR2 P37173 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2146752 0.89 HSD11B1 (0.35) MAOBMAPK1ALDH1A1KMT2A
SCHEMBL2148983 0.83 MAOB (0.31) MAOBMAPK1ALDH1A1KMT2A
SCHEMBL12935550 0.81 NPC1 (0.33) CNR2ALDH1A1KMT2A
SCHEMBL2146843 0.80 KMT2A (0.48) MAOBMAPK1ALDH1A1KMT2A
SCHEMBL1503297 0.78 MAPT (0.43) MAPK1ALDH1A1KMT2A
SCHEMBL2160289 0.78 CNR2 (0.34) MAPK1CNR2
SCHEMBL2146827 0.77 HSD11B1 (0.34) MAOBMAPK1ALDH1A1KMT2A
SCHEMBL2219276 0.77 HDAC3 (0.34) MAOBMAOA
SCHEMBL2147119 0.76 ALDH1A1 (0.36) MAOBMAPK1ALDH1A1KMT2A
SCHEMBL2158214 0.76 ALDH1A1 (0.36) MAOBMAPK1ALDH1A1KMT2A

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-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
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 EP disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 WO 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 MAOB 141/4885MAPK1 1297/4885MAOA 200/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD MAOB 141/4885MAPK1 1297/4885MAOA 200/4885

“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.