SCHEMBL4544037

SCHEMBL4544037

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
MAPT P10636 5/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CDK2 P24941 2/20 0.41
CDK1 P06493 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
SCHEMBL4543289 0.86 MAPT (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4403569 0.85 TUBB4A (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4551399 0.83 TUBB4A (0.42) ALDH1A1MAPTGAAKDM4ECA12
SCHEMBL4329236 0.81 TUBB4A (0.52) MEN1KMT2AMAPTLMNA
SCHEMBL4551526 0.81 KIF11 (0.46) ALDH1A1MAPTKDM4ECA12CA9
SCHEMBL30039524 0.80 TUBB4A (0.54) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4543171 0.79 CA1 (0.37) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL5724628 0.78 TUBB4A (0.38) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4541894 0.77 CA1 (0.38) CA1CA2PTGS2
SCHEMBL4551243 0.76 MAP2 (0.38) POLBCA12CA9CA1CA2

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 13 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-7365090-B2 Substituted phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
EP-1545510-A4 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2006-11-15 EP disclosed
EP-1390029-A4 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2005-11-30 EP disclosed
EP-1545510-A1 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV Idenix (Cayman) Limited (KY) 2005-06-29 EP disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-20040180945-A1 Substituted phenylindoles for the treatment of HIV ARTICO MARINO (IT) 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
WO-2004014364-A1 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX (CAYMAN) LIMITED (KY) 2004-02-19 WO 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 (4 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 ALDH1A1 1178/4885MEN1 3850/4885KMT2A 3276/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 ALDH1A1 1178/4885MEN1 3850/4885KMT2A 3276/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 ALDH1A1 1178/4885MEN1 3850/4885KMT2A 3276/4885
US-20040180945-A1 Substituted phenylindoles for the treatment of HIV BRD4, INMT, BRD3 ALDH1A1 2628/4885MEN1 820/4885KMT2A 270/4885

“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.