SCHEMBL4170043

SCHEMBL4170043

CN(O)C(=O)c1cc2c(C(=O)NC[C@@H]3CCCO3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 3/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.44
P2RX3 P56373 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1684180 0.81 MEN1 (0.40) CHRM1POLBP2RX3
SCHEMBL4160989 0.81 MEN1 (0.41) POLB
SCHEMBL13778787 0.81 FSCN1 (0.39) CHRM1KDM4EGAA
SCHEMBL13778809 0.81 CNR2 (0.48) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL13778789 0.77 ALDH1A1 (0.45) POLBKDM4EALDH1A1GAATSHR
SCHEMBL13778791 0.77 MMP13 (0.40) RXFP1POLBLMNASMN1; SMN2
SCHEMBL14541883 0.77 MMP13 (0.40) RXFP1POLBLMNA
SCHEMBL4165466 0.76 PDE4A (0.38) POLBALDH1A1RAB9A
SCHEMBL13778792 0.75 CNR1 (0.40) RXFP1POLB
SCHEMBL14541885 0.75 MET (0.39) POLBKDM4EALDH1A1HPGDP2RX3

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
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 CHRM1 4739/4885RXFP1 4852/4885POLB 36/4885

“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.