SCHEMBL4406573

SCHEMBL4406573

CCOC(=O)C(C)=NNc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 5/20 0.46
GAA P10253 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KYAT1 Q16773 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL22760545 1.00 HPGD (0.48) HPGDTSHRMAPTGAAMEN1
SCHEMBL4408498 0.88 TSHR (0.50) TSHRMAPTMEN1KMT2AKYAT1
SCHEMBL22621727 0.88 TSHR (0.50) TSHRMAPTMEN1KMT2AKYAT1
SCHEMBL19341959 0.88 TSHR (0.50) TSHRMAPTMEN1KMT2AKYAT1
SCHEMBL4395363 0.88 MEN1 (0.44) MAPTGAAMEN1KMT2AKYAT1
SCHEMBL19342014 0.88 MEN1 (0.44) MAPTGAAMEN1KMT2AKYAT1
SCHEMBL23354787 0.83 HPGD (0.45) HPGDTSHRMAPTGAAMEN1
SCHEMBL23354788 0.83 HPGD (0.45) HPGDTSHRMAPTGAAMEN1
SCHEMBL23367372 0.83 HPGD (0.45) HPGDTSHRMAPTGAAMEN1
SCHEMBL19831066 0.82 POLB (0.49) HPGDMAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390029-B1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2009-12-16 EP disclosed
US-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
EP-1390029-A4 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2005-11-30 EP disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-6710068-B2 PHENYLSULFONYLINODLES USEFUL FOR THE TREATMENT OF HIV IN HUMANS AND OTHER HOST ANIMALS IDENIX PHARMACEUTICALS, INC. 2004-03-23 US disclosed
EP-1390029-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV Idenix (Cayman) Limited (KY) 2004-02-25 EP disclosed
US-20020193415-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2002-12-19 US disclosed
WO-2002083126-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX (CAYMAN) LIMITED (KY) 2002-10-24 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-20070293668-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 HPGD 265/4885TSHR 4872/4885MAPT 1181/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 HPGD 265/4885TSHR 4872/4885MAPT 1181/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 HPGD 265/4885TSHR 4872/4885MAPT 1181/4885

“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.