SCHEMBL4804098

SCHEMBL4804098

O=C(NO)c1cc2c(CSCc3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PPARG P37231 3/20 0.41
HDAC1 Q13547 10/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 4/20 0.41
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
FSCN1 Q16658 1/20 0.39
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ICMT O60725 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL4799311 0.89 FSCN1 (0.39) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2943251 0.88 PPARG (0.43) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2945087 0.87 PPARG (0.42) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL1684192 0.86 PPARG (0.41) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2943245 0.84 FSCN1 (0.42) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2949469 0.84 FSCN1 (0.42) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2945177 0.84 HDAC1 (0.41) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL2944846 0.83 PPARG (0.40) ALDH1A1PPARGHDAC1HDAC6HDAC8
SCHEMBL2944845 0.83 PPARG (0.40) ALDH1A1PPARGHDAC1HDAC6HDAC8
SCHEMBL1684175 0.83 HDAC1 (0.38) PPARGHDAC1HDAC6HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
WO-2008063114-A9 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP ALDH1A1 437/4885PPARG 4290/4885HDAC1 626/4885

“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.