SCHEMBL4158348

SCHEMBL4158348

O=C(NO)c1cc2c(NS(=O)(=O)c3ccc4c(c3)CNCC4)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.47
CCR9 P51686 1/20 0.43
PNMT P11086 4/20 0.42
HTR2C P28335 4/20 0.39
HTR2B P41595 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
MELK Q14680 1/20 0.39
CYP2D6 P10635 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.36
TPSAB1 Q15661 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
SCHEMBL4161028 0.83 MEN1 (0.42) MEN1KMT2A
SCHEMBL4166990 0.79 HDAC1 (0.41) MEN1KMT2A
SCHEMBL1684278 0.77 TP53 (0.38) MEN1KMT2A
SCHEMBL1684250 0.76 KMT2A (0.42) KMT2A
SCHEMBL1684129 0.74 POLB (0.42) MEN1KMT2A
SCHEMBL1684120 0.72 MLNR (0.41) MLNRCCR9PNMTHTR2CHTR2B
SCHEMBL14542133 0.72 MMP13 (0.44) MEN1KMT2A
SCHEMBL4165161 0.71 MEN1 (0.44) CYP2D6MEN1KMT2A
SCHEMBL4158917 0.70 LMNA (0.40) MEN1KMT2A
SCHEMBL15435386 0.70 PNMT (0.77) MLNRCCR9PNMTHTR2CHTR2B

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US 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 MLNR 3832/4885CCR9 2547/4885PNMT 1242/4885

“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.