SCHEMBL4808337

SCHEMBL4808337

O=C(NO)c1cc2c(CNCCN3CCOCC3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40
BCL3 P20749 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
STAT6 P42226 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
P2RX7 Q99572 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
SCHEMBL4805408 0.93 KDM4E (0.39) DDR1DDR2SMN1; SMN2HDAC3HDAC2
SCHEMBL4809762 0.90 MOK (0.41) DDR1DDR2SMN1; SMN2STAT6
SCHEMBL4805789 0.88 P2RX3 (0.38) DDR1DDR2CNR2P2RX7
SCHEMBL4804946 0.88 MEN1 (0.43) DDR1DDR2SMN1; SMN2
SCHEMBL4801984 0.87 HDAC1 (0.37) HDAC3HDAC2P2RX7
SCHEMBL4175473 0.87 PIK3CD (0.39) BCL3EPHX2TSHRSMN1; SMN2CNR2
SCHEMBL14541738 0.85 TSHR (0.37) BCL3TSHRSMN1; SMN2CNR2
SCHEMBL4806355 0.85 CHEK1 (0.46)
SCHEMBL4805012 0.84 P2RX3 (0.41) DDR1DDR2STAT6P2RX7
SCHEMBL4800237 0.84 MEN1 (0.40) HDAC3HDAC2P2RX7

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
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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP LMNA 3259/4885DDR1 3875/4885DDR2 4242/4885

“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.