SCHEMBL4166109

SCHEMBL4166109

COC(=O)c1cc2c(C(=O)O)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
POLB P06746 1/20 0.46
SERPINE1 P05121 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
THRB P10828 1/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 3/20 0.42
CHRM1 P11229 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4158936 0.86 HSP90AA1 (0.43) POLBTHRBMMP13TP53MAPT
SCHEMBL4799336 0.85 MAPT (0.42) POLBTHRBMMP13TP53MAPT
SCHEMBL4802889 0.84 ALDH1A1 (0.55) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL4806657 0.84 MEN1 (0.43) POLBTHRBMMP13TP53MAPT
SCHEMBL4162951 0.83 SMN1; SMN2 (0.42) POLBTHRBTP53MAPTMEN1
SCHEMBL4165398 0.82 HDAC1 (0.45) POLBTHRBMMP13TP53MAPT
SCHEMBL4170178 0.82 SMN1; SMN2 (0.48) POLBTP53MAPTMEN1KMT2A
SCHEMBL4800004 0.80 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL4805646 0.79 THRB (0.41) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL4802909 0.79 MMP13 (0.43) POLBSERPINE1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP IDO1 144/4885POLB 36/4885SERPINE1 657/4885

“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.