SCHEMBL181325

SCHEMBL181325

O=C(O)CNCc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FOLH1 Q04609 1/20 0.53
CYP1A2 P05177 1/20 0.53
MC5R P33032 2/20 0.51
MAPK1 P28482 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MC1R Q01726 1/20 0.50
HPGD P15428 1/20 0.50
CA2 P00918 1/20 0.50
DPP4 P27487 1/20 0.50
CMA1 P23946 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5939683 0.87 FOLH1 (0.60) TDP1KMT2AMEN1MAPTL3MBTL1
SCHEMBL16034081 0.83 MTNR1A (0.60) TDP1KMT2AMEN1MAPTCYP1A2
SCHEMBL29860607 0.83 MTNR1A (0.60) TDP1KMT2AMEN1MAPTCYP1A2
SCHEMBL4679636 0.82 ATM (0.55) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL6008064 0.81 MC5R (0.70) KMT2AMEN1MAPTL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL8439823 0.81 ATM (0.54) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL7393110 0.81 KMT2A (0.50) TDP1KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4236114 0.81 KMT2A (0.48) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL21447680 0.79 MC5R (0.51) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL20422723 0.79 KMT2A (0.63) TDP1KMT2AMEN1MAPTALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
EP-4139326-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-01 EP disclosed
WO-2021217047-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 WO disclosed
US-9938321-B2 Cyclic peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2018-04-10 US disclosed
US-20180051056-A1 SYNTHETIC MINIATURE PROTEIN SCAFFOLDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME KIRSHENBAUM KENT (US) 2018-02-22 US disclosed
US-9872495-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2016-08-04 US disclosed
US-9364449-B2 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NEW YORK UNIVERSITY (US) 2016-06-14 US disclosed
US-9315548-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2016-04-19 US disclosed
WO-2015175770-A1 HDAC INHIBITORS AS ANTI-CANCER AGENTS THE UNIVERSITY OF TOLEDO (US) 2015-11-19 WO disclosed
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 US disclosed
EP-2401264-A2 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME New York University (US) 2012-01-04 EP disclosed
WO-2011156003-A2 PEPTOID AND SYNTHETIC OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2011-12-15 WO disclosed
EP-2383281-A2 Prion-specific peptoid reagents Novartis AG (CH) 2011-11-02 EP disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
WO-2011057029-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed
WO-2010098843-A2 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY (US) 2010-09-02 WO disclosed
US-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2010-09-02 US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 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 (6 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-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 TDP1 2148/4885KMT2A 4875/4885MEN1 2370/4885
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same APP, IAPP, PSEN1 TDP1 632/4885KMT2A 4853/4885MEN1 1236/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 TDP1 395/4885KMT2A 1129/4885MEN1 2479/4885
US-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP TDP1 1545/4885KMT2A 4687/4885MEN1 2738/4885
US-20180051056-A1 SYNTHETIC MINIATURE PROTEIN SCAFFOLDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME PRNP, SPPL2A, PFDN2 TDP1 2251/4885KMT2A 4001/4885MEN1 382/4885
US-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 TDP1 2148/4885KMT2A 4875/4885MEN1 2370/4885

“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.