SCHEMBL6414545

SCHEMBL6414545

Cc1ccc(CNc2ccc(F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
KMT2A Q03164 3/20 0.67
GAA P10253 3/20 0.67
MEN1 O00255 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
HSP90AA1 P07900 1/20 0.67
HSP90AB1 P08238 1/20 0.67
THRB P10828 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
CASP1 P29466 1/20 0.67
BLM P54132 1/20 0.67
PLEC Q15149 1/20 0.67
HSD17B10 Q99714 1/20 0.67
HTT P42858 1/20 0.66
AURKA O14965 1/20 0.65

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
SCHEMBL171854 1.00 MAPT (0.67) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL10055033 0.89 LMNA (0.61) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL2005375 0.89 MAPT (0.80) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL10055032 0.89 MAPT (0.80) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL6419238 0.89 LMNA (0.61) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL22783760 0.83 MAPT (0.71) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL22674849 0.82 MAPT (0.69) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL4592466 0.82 MAPT (0.69) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL14950714 0.80 MAPT (1.00) MAPTKMT2AGAAMEN1L3MBTL1
SCHEMBL6416118 0.80 MEN1 (0.67) MAPTKMT2AGAAMEN1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MAPT 4035/4885KMT2A 1208/4885GAA 4268/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885KMT2A 1330/4885GAA 3859/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885KMT2A 1330/4885GAA 3859/4885

“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.