SCHEMBL1503168

SCHEMBL1503168

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
LIMK2 P53671 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 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 0.90 KMT2A (0.52) KMT2ALIMK2MAPTALDH1A1LMNA
SCHEMBL1503080 0.87 KMT2A (0.51) KMT2ALIMK2MAPTALDH1A1LMNA
SCHEMBL1503101 0.85 KMT2A (0.49) KMT2ALIMK2MAPTALDH1A1LMNA
SCHEMBL1503166 0.82 POLB (0.50) MAPTALDH1A1LMNAHPGD
SCHEMBL1503161 0.80 KMT2A (0.49) KMT2ALIMK2MAPTALDH1A1LMNA
SCHEMBL2219295 0.77 HDAC6 (0.42) KMT2AMAPTHDAC3HDAC4HDAC6
SCHEMBL2147308 0.73 CCNB2 (0.47) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL2187912 0.73 MAPT (0.58) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL83038 0.73 LMNA (0.58) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL1503247 0.69 AR (0.45) KMT2AALDH1A1LMNAHPGDMMP1

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-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
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 1953/4885LIMK2 944/4885MAPT 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.