SCHEMBL2945339

SCHEMBL2945339

O=C(NOc1ccccc1)c1cc2ncn(CCC3CCCCC3)c2cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LNPEP Q9UIQ6 1/20 0.43
NAMPT P43490 1/20 0.43
METAP2 P50579 4/20 0.41
METAP1 P53582 2/20 0.41
ADRA2A P08913 1/20 0.41
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL2948595 0.86 LMNA (0.46) LMNATSHRHTTNPSR1LNPEP
SCHEMBL4807417 0.83 LMNA (0.50) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2950577 0.82 HTT (0.53) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2947215 0.82 TSHR (0.42) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2943872 0.81 NPC1 (0.41) LMNATSHRHTTALDH1A1TP53
SCHEMBL2951388 0.76 MMP13 (0.48) ALDH1A1RAB9A
SCHEMBL2948409 0.74 PPARG (0.44) ALDH1A1
SCHEMBL18686834 0.73 LNPEP (0.52) LMNATSHRHTTNPSR1LNPEP
SCHEMBL4915113 0.71 MMP13 (0.37)
SCHEMBL2943246 0.68 MMP13 (0.50) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US claimed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US claimed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB LMNA 1696/4885TSHR 4810/4885HTT 1691/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1527/4885TSHR 4808/4885HTT 1768/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1532/4885TSHR 4830/4885HTT 1490/4885

“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.