SCHEMBL1503080

SCHEMBL1503080

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
LIMK2 P53671 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2218209 0.89 KMT2A (0.52) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL1503168 0.87 KMT2A (0.49) KMT2AALDH1A1MAPTLMNAMMP1
SCHEMBL1503101 0.87 KMT2A (0.49) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL1503161 0.79 KMT2A (0.49) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL2219295 0.73 HDAC6 (0.42) KMT2AMAPTL3MBTL1
SCHEMBL2187651 0.71 LMNA (0.59) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL81576 0.70 LMNA (0.60) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL8775174 0.69 KMT2A (0.61) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL1503166 0.69 POLB (0.50) ALDH1A1MAPTLMNAHPGDL3MBTL1
SCHEMBL81774 0.67 LMNA (0.45) KMT2AALDH1A1MAPTLMNAMEN1

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 12 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
CN-102112447-B HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2013-06-26 CN claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
CN-102112447-B HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2013-06-26 CN disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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 (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 1953/4885ALDH1A1 334/4885MAPT 2577/4885

“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.