SCHEMBL2218209

SCHEMBL2218209

COCc1c(C(=O)N(C)Cc2ccc(F)cc2)cnc(C)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.40
LIMK2 P53671 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1503168 0.90 KMT2A (0.49) KMT2AMAPTLIMK2LMNAALDH1A1
SCHEMBL1503080 0.89 KMT2A (0.51) KMT2AMAPTLIMK2LMNAALDH1A1
SCHEMBL1503101 0.88 KMT2A (0.49) KMT2AMAPTLIMK2LMNAALDH1A1
SCHEMBL1503161 0.82 KMT2A (0.49) KMT2AMAPTLIMK2LMNAALDH1A1
SCHEMBL2219295 0.75 HDAC6 (0.42) KMT2AMAPTL3MBTL1
SCHEMBL1503139 0.73 LMNA (0.60) KMT2AMAPTLMNAALDH1A1L3MBTL1
SCHEMBL2186250 0.73 LMNA (0.60) KMT2AMAPTLMNAALDH1A1L3MBTL1
SCHEMBL1503166 0.71 POLB (0.50) MAPTLMNAALDH1A1L3MBTL1HPGD
SCHEMBL8775174 0.70 KMT2A (0.61) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL19755568 0.69 LMNA (0.53) MAPTLMNAALDH1A1MMP2TDP1

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-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 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 (1 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB KMT2A 1953/4885MAPT 2577/4885LIMK2 944/4885

“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.