SCHEMBL5848162

SCHEMBL5848162

CNC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NR1H4 Q96RI1 1/20 0.59
NLRP3 Q96P20 1/20 0.57
RIOK2 Q9BVS4 5/20 0.56
MAPK10 P53779 4/20 0.56
GSK3A P49840 3/20 0.56
MAPK8 P45983 2/20 0.56
HIPK1 Q86Z02 1/20 0.56
SNRK Q9NRH2 1/20 0.56
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50

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
SCHEMBL24195991 0.85 MEN1 (0.62) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL28372186 0.84 MEN1 (0.65) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL1520280 0.84 MEN1 (0.65) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL6172461 0.83 HDAC1 (0.57)
SCHEMBL31189138 0.82 MEN1 (0.59) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL2038480 0.81 L3MBTL1 (0.76) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL11271316 0.80 KMT2A (0.55) MEN1KMT2ARIOK2MAPK10GSK3A
SCHEMBL19851537 0.80 HDAC8 (0.53) L3MBTL1MEN1KMT2A
SCHEMBL265881 0.79 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL9367263 0.79 NR1H4 (0.83) L3MBTL1MEN1KMT2ANR1H4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US disclosed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US disclosed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
EP-1506186-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2005-02-16 EP disclosed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A L3MBTL1 3373/4885MEN1 332/4885KMT2A 4240/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS L3MBTL1 1546/4885MEN1 1674/4885KMT2A 4608/4885
US-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 L3MBTL1 319/4885MEN1 244/4885KMT2A 2833/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 L3MBTL1 4272/4885MEN1 559/4885KMT2A 3178/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS L3MBTL1 1546/4885MEN1 1674/4885KMT2A 4608/4885

“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.