SCHEMBL4980048

SCHEMBL4980048

O=C(OCc1ccccc1)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
LMNA P02545 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RAB9A P51151 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL1285549 0.83 CA12 (0.48) KMT2ALMNARAB9AMAPTALDH1A1
SCHEMBL2706461 0.79 KMT2A (0.66) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL6002245 0.79 KMT2A (0.70) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL1285843 0.78 ALOX15 (0.49) KMT2ATDP1LMNAMAPTALDH1A1
SCHEMBL3726302 0.77 PTPN1 (0.45) KMT2ARAB9AMAPTALDH1A1NPC1
SCHEMBL3824645 0.77 PTPN1 (0.45) KMT2ARAB9AMAPTALDH1A1NPC1
SCHEMBL6001946 0.75 KMT2A (0.64) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL909883 0.75 CA12 (0.40) KMT2ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL3371655 0.74 ALOX5 (0.61) KMT2ALMNASLC6A2SLC6A3RAB9A
SCHEMBL9616998 0.74 LMNA (0.71) KMT2ATDP1LMNASLC6A2SLC6A3

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
WO-2023111005-A1 CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER WMT AG (DE) 2023-06-22 WO disclosed
WO-2023111005-A1 CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER WMT AG (DE) 2023-06-22 WO disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 (4 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 KMT2A 2256/4885TDP1 2015/4885LMNA 3896/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN KMT2A 3968/4885TDP1 2012/4885LMNA 800/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 KMT2A 4384/4885TDP1 1722/4885LMNA 857/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 KMT2A 4384/4885TDP1 1722/4885LMNA 857/4885

“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.