SCHEMBL522270

SCHEMBL522270

CN(C)c1ccc2ccccc2c1-c1c(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.40
KCNMA1 Q12791 1/20 0.40
TEK Q02763 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL12064531 0.89 MAPT (0.51) MAPTKDM4EKMT2AMEN1MYC
SCHEMBL17977237 0.84 MAPT (0.57) MAPTKDM4EKMT2AMEN1MYC
SCHEMBL29418101 0.84 MAPT (0.57) MAPTKDM4EKMT2AMEN1MYC
SCHEMBL12064530 0.80 GAA (0.47) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL23979335 0.79 MAPT (0.56) MAPTKDM4EKMT2AMEN1MYC
SCHEMBL19797782 0.79 P2RX1 (0.37) MAPTKDM4EKMT2AMEN1P2RX1
SCHEMBL19797777 0.77 MAPT (0.55) MAPTKDM4EKMT2AMEN1MYC
SCHEMBL19286172 0.75 ALDH1A1 (0.47) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL4125057 0.71 ALDH1A1 (0.47) MAPTKDM4EKMT2AMEN1RAB9A
SCHEMBL4555506 0.70 MAPT (0.59) MAPTKDM4EKMT2AMEN1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO claimed
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 US disclosed
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 US disclosed
EP-3256444-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 MAPT 3139/4885KDM4E 2555/4885KMT2A 962/4885
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST MAPT 4581/4885KDM4E 852/4885KMT2A 1785/4885
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN MAPT 326/4885KDM4E 2269/4885KMT2A 2638/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN MAPT 326/4885KDM4E 2269/4885KMT2A 2638/4885

“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.