SCHEMBL2146752

SCHEMBL2146752

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
MAOB P27338 1/20 0.34
MAPK1 P28482 8/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA5 P31644 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL2160469 0.89 MAOB (0.33) MAOBMAPK1KMT2AALDH1A1
SCHEMBL12935550 0.89 NPC1 (0.33) KMT2AMAPTALDH1A1KDM4E
SCHEMBL2146827 0.88 HSD11B1 (0.34) HSD11B1MAOBMAPK1KMT2AMAPT
SCHEMBL2158214 0.86 ALDH1A1 (0.36) MAOBMAPK1KMT2AMAPTLMNA
SCHEMBL2147119 0.86 ALDH1A1 (0.36) MAOBMAPK1KMT2AMAPTLMNA
SCHEMBL2148983 0.86 MAOB (0.31) MAOBMAPK1KMT2AALDH1A1
SCHEMBL2146843 0.82 KMT2A (0.48) MAOBMAPK1KMT2AMAPTALDH1A1
SCHEMBL22738298 0.81 MAOB (0.34) MAOBMAPK1KMT2AMAPTALDH1A1
SCHEMBL1503232 0.80 CCNA2 (0.36) MAOBMAPK1KMT2AMAPTLMNA
SCHEMBL2147314 0.79 ALDH1A1 (0.41) MAOBMAPK1KMT2AMAPTALDH1A1

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
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 WO 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 HSD11B1 1163/4885MAOB 141/4885MAPK1 1297/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD HSD11B1 1163/4885MAOB 141/4885MAPK1 1297/4885

“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.