SCHEMBL4804335

SCHEMBL4804335

O=C(NO)c1cc2c(CNCCc3c[nH]c4ccccc34)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
HDAC3 O15379 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MPO P05164 2/20 0.45
SSTR3 P32745 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4805462 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4806355 0.85 CHEK1 (0.46) HDAC1HDAC7KMT2A
SCHEMBL4809899 0.84 KDM4E (0.40) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4801984 0.84 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL4804348 0.81 HDAC1 (0.36) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4800237 0.81 MEN1 (0.40) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4800089 0.80 HASPIN (0.41) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4799272 0.80 KMT2A (0.42) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4805408 0.80 KDM4E (0.39) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL2949469 0.80 FSCN1 (0.42) HDAC1HDAC3HDAC2HDAC6HDAC8

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
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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
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 HDAC1 626/4885HDAC3 1812/4885HDAC2 1062/4885

“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.